8WAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wag by Molmil](/molmil-images/mine/8wag) | Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1 | 分子名称: | Protein CHUP1, chloroplastic | 著者 | Shimada, A, Nakamura, Y, Takano, A, Kohda, D. | 登録日 | 2023-09-07 | 公開日 | 2024-01-17 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | 主引用文献 | CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement. Plant Cell, 36, 2024
|
|
6HRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hrx by Molmil](/molmil-images/mine/6hrx) | EthR2 in complex with compound 2 (BDM72201) | 分子名称: | 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine, Probable transcriptional regulatory protein | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
|
|
5EI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ei2 by Molmil](/molmil-images/mine/5ei2) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 分子名称: | Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | 著者 | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | 登録日 | 2015-10-29 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
|
|
7UZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uz2 by Molmil](/molmil-images/mine/7uz2) | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-fluoro-valienide. | 分子名称: | (1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Beta-galactosidase | 著者 | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | 登録日 | 2022-05-08 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8VLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vlb by Molmil](/molmil-images/mine/8vlb) | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue | 分子名称: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | 著者 | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | 登録日 | 2024-01-11 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1 To Be Published
|
|
5MRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mrp by Molmil](/molmil-images/mine/5mrp) | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2) | 分子名称: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | 登録日 | 2016-12-23 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
|
|
7UZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uz1 by Molmil](/molmil-images/mine/7uz1) | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-bromo-valienide. | 分子名称: | (1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Beta-galactosidase | 著者 | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Karimi, R, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | 登録日 | 2022-05-08 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
5A70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a70 by Molmil](/molmil-images/mine/5a70) | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis x tetrasaccharide | 分子名称: | CALCIUM ION, LECB, SULFATE ION, ... | 著者 | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | 登録日 | 2015-07-02 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study. Eur.J.Med.Chem., 177, 2019
|
|
5MSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5msx by Molmil](/molmil-images/mine/5msx) | Glycoside hydrolase BT_3662 | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2017-01-06 | 公開日 | 2017-03-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
|
|
5MUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mui by Molmil](/molmil-images/mine/5mui) | Glycoside hydrolase BT_0996 | 分子名称: | Beta-galactosidase, beta-L-arabinofuranose-(1-2)-alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-3)-alpha-L-rhamnopyranose | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2017-01-13 | 公開日 | 2017-03-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
|
|
8CQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cql by Molmil](/molmil-images/mine/8cql) | pVHL:EloB:EloC in complex with (2S,4R)-N-((S)-1-(5-Fluoro-2-methoxy-4-(4-methylthiazol-5-yl)phenyl)ethyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide (Compound 33) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[5-fluoranyl-2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M. | 登録日 | 2023-03-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers. J.Med.Chem., 66, 2023
|
|
5MWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mwk by Molmil](/molmil-images/mine/5mwk) | Glycoside hydrolase BT_0986 | 分子名称: | BROMIDE ION, CALCIUM ION, Glycoside hydrolase family 2, ... | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2017-01-18 | 公開日 | 2017-03-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
|
|
8CAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cap by Molmil](/molmil-images/mine/8cap) | |
8CAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cal by Molmil](/molmil-images/mine/8cal) | |
8CQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cqk by Molmil](/molmil-images/mine/8cqk) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(2-methyl-4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 30) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M. | 登録日 | 2023-03-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers. J.Med.Chem., 66, 2023
|
|
8CAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cao by Molmil](/molmil-images/mine/8cao) | Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24 | 分子名称: | 1,2-ETHANEDIOL, 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione, DI(HYDROXYETHYL)ETHER, ... | 著者 | Reis, J, Mattevi, A. | 登録日 | 2023-01-24 | 公開日 | 2023-09-27 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Targeting ROS production through inhibition of NADPH oxidases. Nat.Chem.Biol., 19, 2023
|
|
8VL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vl9 by Molmil](/molmil-images/mine/8vl9) | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue | 分子名称: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | 著者 | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | 登録日 | 2024-01-11 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1 To Be Published
|
|
8CQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cqe by Molmil](/molmil-images/mine/8cqe) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(2-methyl-4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 37) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M. | 登録日 | 2023-03-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers. J.Med.Chem., 66, 2023
|
|
8CB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cb0 by Molmil](/molmil-images/mine/8cb0) | Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 and NADP+ | 分子名称: | 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Reis, J, Mattevi, A. | 登録日 | 2023-01-24 | 公開日 | 2023-09-27 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Targeting ROS production through inhibition of NADPH oxidases. Nat.Chem.Biol., 19, 2023
|
|
7PN7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pn7 by Molmil](/molmil-images/mine/7pn7) | |
7PN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pn4 by Molmil](/molmil-images/mine/7pn4) | |
8CAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cak by Molmil](/molmil-images/mine/8cak) | Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 | 分子名称: | 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ... | 著者 | Reis, J, Mattevi, A. | 登録日 | 2023-01-24 | 公開日 | 2023-09-27 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Targeting ROS production through inhibition of NADPH oxidases. Nat.Chem.Biol., 19, 2023
|
|
7PN5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pn5 by Molmil](/molmil-images/mine/7pn5) | |
7PN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pn8 by Molmil](/molmil-images/mine/7pn8) | |
7PN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pn9 by Molmil](/molmil-images/mine/7pn9) | |