6YX3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yx3 by Molmil](/molmil-images/mine/6yx3) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | 著者 | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2020-04-30 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
|
|
8BRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bro by Molmil](/molmil-images/mine/8bro) | Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide | 分子名称: | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide, Lectin | 著者 | Varrot, A, Lunstrom, J. | 登録日 | 2022-11-23 | 公開日 | 2023-02-08 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia. Molecules, 28, 2023
|
|
6GT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gt8 by Molmil](/molmil-images/mine/6gt8) | |
6JWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jwn by Molmil](/molmil-images/mine/6jwn) | |
6C16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c16 by Molmil](/molmil-images/mine/6c16) | |
6KGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kgt by Molmil](/molmil-images/mine/6kgt) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with faropenem | 分子名称: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | 著者 | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | 登録日 | 2019-07-12 | 公開日 | 2020-03-11 | 実験手法 | X-RAY DIFFRACTION (2.308 Å) | 主引用文献 | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
|
|
7LFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lfv by Molmil](/molmil-images/mine/7lfv) | |
6YVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvj by Molmil](/molmil-images/mine/6yvj) | EED in complex with a triazolopyrimidine | 分子名称: | GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Read, J.A. | 登録日 | 2020-04-28 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase. Bioorg.Med.Chem.Lett., 39, 2021
|
|
6C1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c1b by Molmil](/molmil-images/mine/6c1b) | FGFR1 kinase complex with inhibitor SN37118 | 分子名称: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | 著者 | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | 登録日 | 2018-01-04 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
|
|
6GJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gj2 by Molmil](/molmil-images/mine/6gj2) | PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - COMPLEX WITH INOSITOL HEXASULPHATE | 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 | Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M. | 登録日 | 2018-05-15 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants. Plant Commun., 3, 2022
|
|
6QN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qn4 by Molmil](/molmil-images/mine/6qn4) | |
8T1A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t1a by Molmil](/molmil-images/mine/8t1a) | |
6GTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gtl by Molmil](/molmil-images/mine/6gtl) | Achromobacter cycloclastes copper nitrite reductase at pH 6.0 | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | 著者 | Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S. | 登録日 | 2018-06-18 | 公開日 | 2019-07-03 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography. Iucrj, 6, 2019
|
|
6BP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bp0 by Molmil](/molmil-images/mine/6bp0) | Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J, Structural Genomics Consortium (SGC) | 登録日 | 2017-11-21 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor To Be Published
|
|
7LFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lfu by Molmil](/molmil-images/mine/7lfu) | |
5VM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vm4 by Molmil](/molmil-images/mine/5vm4) | |
6QUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6quk by Molmil](/molmil-images/mine/6quk) | Protein crystallization by ionic liquid hydrogel support: glucose isomerase grown by using ionic liquid hydrogel | 分子名称: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | 著者 | Belviso, B.D, Caliandro, R, Caliandro, R. | 登録日 | 2019-02-27 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes Crystals, 9, 2019
|
|
6GJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gjj by Molmil](/molmil-images/mine/6gjj) | Cyclophilin A complexed with tri-vector ligand 2. | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | 登録日 | 2018-05-16 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
|
|
7RKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rks by Molmil](/molmil-images/mine/7rks) | Structure of the SARS-CoV receptor binding domain in complex with the human neutralizing antibody Fab fragment, C118 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, C118 Antibody Fab Heavy Chain, ... | 著者 | Jette, C.A, Bjorkman, P.J, Barnes, C.O. | 登録日 | 2021-07-22 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies. Cell Rep, 36, 2021
|
|
6C1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c1u by Molmil](/molmil-images/mine/6c1u) | MBD2 in complex with a deoxy-oligonucleotide | 分子名称: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | 著者 | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2018-01-05 | 公開日 | 2018-02-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA. J. Biol. Chem., 293, 2018
|
|
7LTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ltn by Molmil](/molmil-images/mine/7ltn) | Crystal structure of Mpro in complex with inhibitor CDD-1713 | 分子名称: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase | 著者 | Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S. | 登録日 | 2021-02-19 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7RMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rmq by Molmil](/molmil-images/mine/7rmq) | Crystal structure of cycloviolacin O2 | 分子名称: | Cycloviolacin O2, D-[I11L]cycloviolacin O2, FORMIC ACID | 著者 | Huang, Y.H, Du, Q. | 登録日 | 2021-07-28 | 公開日 | 2021-09-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides. Molecules, 26, 2021
|
|
6YY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yy9 by Molmil](/molmil-images/mine/6yy9) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | 著者 | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2020-05-04 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.413 Å) | 主引用文献 | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
|
|
6QUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6quw by Molmil](/molmil-images/mine/6quw) | Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b | 分子名称: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole, GTPase KRas, MAGNESIUM ION, ... | 著者 | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | 登録日 | 2019-02-28 | 公開日 | 2019-07-31 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.242 Å) | 主引用文献 | KRAS Binders Hidden in Nature. Chemistry, 25, 2019
|
|
6QNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qnx by Molmil](/molmil-images/mine/6qnx) | Structure of the SA2/SCC1/CTCF complex | 分子名称: | Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog, Transcriptional repressor CTCF | 著者 | Li, Y, Muir, K.W, Panne, D. | 登録日 | 2019-02-12 | 公開日 | 2020-01-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The structural basis for cohesin-CTCF-anchored loops. Nature, 578, 2020
|
|