7NQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nqo by Molmil](/molmil-images/mine/7nqo) | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | 著者 | Selvam, I.R. | 登録日 | 2021-03-01 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
|
|
7ODL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7odl by Molmil](/molmil-images/mine/7odl) | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | 登録日 | 2021-04-29 | 公開日 | 2022-01-26 | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2. Nat Commun, 13, 2022
|
|
4LF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lf0 by Molmil](/molmil-images/mine/4lf0) | The E142D mutant of the amidase from Geobacillus pallidus | 分子名称: | Aliphatic amidase | 著者 | Sewell, B.T, Weber, B.W, Kimani, S.W, Cowan, D.A, Hunter, R, Venter, G.A, Gumbart, J.C, Thuku, R.N, Varsani, A. | 登録日 | 2013-06-26 | 公開日 | 2013-08-21 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning. J.Biol.Chem., 288, 2013
|
|
7OD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7od3 by Molmil](/molmil-images/mine/7od3) | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | 登録日 | 2021-04-28 | 公開日 | 2022-01-26 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2. Nat Commun, 13, 2022
|
|
7NQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nqm by Molmil](/molmil-images/mine/7nqm) | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... | 著者 | Selvam, I.R. | 登録日 | 2021-03-01 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
|
|
8FUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fuz by Molmil](/molmil-images/mine/8fuz) | Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; filament assembly interface reconstruction | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | O'Neill, A.G, Kollman, J.M. | 登録日 | 2023-01-18 | 公開日 | 2023-04-19 | 最終更新日 | 2023-08-09 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
|
|
6F7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f7b by Molmil](/molmil-images/mine/6f7b) | Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032 | 分子名称: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1 | 著者 | Holton, S.J, Siemeister, G, Mengel, A, Bone, W, Schroeder, J, Zitzmann-Kolbe, S, Briem, H, Fernandez-Montalvan, A, Prechtl, S, Moenning, U, von Ahsen, O, Johanssen, J, Cleve, A, Puetter, V, Hitchcock, M, von Nussbaum, F, Brands, M, Mumberg, D, Ziegelbauer, K. | 登録日 | 2017-12-08 | 公開日 | 2018-12-19 | 最終更新日 | 2021-05-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo. Clin.Cancer Res., 25, 2019
|
|
6EYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eyj by Molmil](/molmil-images/mine/6eyj) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV354 | 分子名称: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | 登録日 | 2017-11-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | E-selectin lectin with different glycomimetic ligands To Be Published
|
|
8RT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rt6 by Molmil](/molmil-images/mine/8rt6) | |
4LH8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lh8 by Molmil](/molmil-images/mine/4lh8) | Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli | 分子名称: | Triazine hydrolase, ZINC ION | 著者 | Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C. | 登録日 | 2013-07-01 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Appl.Environ.Microbiol., 80, 2014
|
|
8RT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rt8 by Molmil](/molmil-images/mine/8rt8) | |
7ODK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7odk by Molmil](/molmil-images/mine/7odk) | Plant peptide hormone receptor H1 | 分子名称: | 1,2-ETHANEDIOL, 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 | Roman, A.O, Jimenez-Sandoval, P, Santiago, J. | 登録日 | 2021-04-29 | 公開日 | 2022-02-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides. Nat Commun, 13, 2022
|
|
8FLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8flq by Molmil](/molmil-images/mine/8flq) | Human PTH1R in complex with PTH(1-34) and Gs | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M. | 登録日 | 2022-12-22 | 公開日 | 2023-04-26 | 最終更新日 | 2023-06-14 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Molecular insights into peptide agonist engagement with the PTH receptor. Structure, 31, 2023
|
|
7OIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oiy by Molmil](/molmil-images/mine/7oiy) | Crystal structure of the ZUFSP family member Mug105 | 分子名称: | SODIUM ION, Ubiquitin carboxyl-terminal hydrolase mug105 | 著者 | Pichlo, C, Hermanns, T, Hofmann, K, Baumann, U. | 登録日 | 2021-05-12 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family. Nat Commun, 13, 2022
|
|
6EZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ezu by Molmil](/molmil-images/mine/6ezu) | |
8RT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rt4 by Molmil](/molmil-images/mine/8rt4) | |
6F05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f05 by Molmil](/molmil-images/mine/6f05) | ARABIDOPSIS THALIANA GSTF9, GSO3 BOUND | 分子名称: | CHLORIDE ION, GLUTATHIONE SULFONIC ACID, GLYCEROL, ... | 著者 | Tossounian, M.A, Wahni, K, VanMolle, I, Vertommen, D, Rosado, L, Messens, J. | 登録日 | 2017-11-17 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility. Protein Sci., 28, 2019
|
|
6FBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fbm by Molmil](/molmil-images/mine/6fbm) | |
7NXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nxu by Molmil](/molmil-images/mine/7nxu) | Crystal structure of the tick-borne encephalitis virus NS3 helicase in complex with ADP-Pi | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, NS3 helicase domain, ... | 著者 | Anindita, P.D, Grinkevich, P, Franta, Z. | 登録日 | 2021-03-19 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase. J.Biol.Chem., 298, 2022
|
|
7NVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nvl by Molmil](/molmil-images/mine/7nvl) | Human TRiC complex in closed state with nanobody bound (Consensus Map) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | 著者 | Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W, Structural Genomics Consortium (SGC) | 登録日 | 2021-03-15 | 公開日 | 2022-03-02 | 最終更新日 | 2022-06-01 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Snapshots of actin and tubulin folding inside the TRiC chaperonin. Nat.Struct.Mol.Biol., 29, 2022
|
|
6F4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f4s by Molmil](/molmil-images/mine/6f4s) | Human JMJD5 (N308C) in complex with Mn(II), 2OG and RCCD1 (139-143) (complex-4) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, GLYCEROL, ... | 著者 | Chowdhury, R, Islam, M.S, Schofield, C.J. | 登録日 | 2017-11-30 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.461 Å) | 主引用文献 | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
|
|
7NVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nvo by Molmil](/molmil-images/mine/7nvo) | Human TRiC complex in open state with nanobody bound | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | 著者 | Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W. | 登録日 | 2021-03-15 | 公開日 | 2022-03-02 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Snapshots of actin and tubulin folding inside the TRiC chaperonin. Nat.Struct.Mol.Biol., 29, 2022
|
|
7NVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nvn by Molmil](/molmil-images/mine/7nvn) | Human TRiC complex in closed state with nanobody and tubulin bound | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | 著者 | Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W. | 登録日 | 2021-03-15 | 公開日 | 2022-03-02 | 最終更新日 | 2022-06-01 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Snapshots of actin and tubulin folding inside the TRiC chaperonin. Nat.Struct.Mol.Biol., 29, 2022
|
|
6F62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f62 by Molmil](/molmil-images/mine/6f62) | |
6ESQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6esq by Molmil](/molmil-images/mine/6esq) | Structure of the acetoacetyl-CoA thiolase/HMG-CoA synthase complex from Methanothermococcus thermolithotrophicus soaked with acetyl-CoA | 分子名称: | CHLORIDE ION, COENZYME A, HydroxyMethylGlutaryl-CoA synthase, ... | 著者 | Voegeli, B, Engilberge, S, Girard, E, Riobe, F, Maury, O, Erb, J.T, Shima, S, Wagner, T. | 登録日 | 2017-10-24 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|