5G4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g4i by Molmil](/molmil-images/mine/5g4i) | PLP-dependent phospholyase A1RDF1 from Arthrobacter aurescens TC1 | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, PHOSPHATE ION, ... | 著者 | Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G. | 登録日 | 2016-05-13 | 公開日 | 2016-10-19 | 最終更新日 | 2017-03-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue. Chembiochem, 17, 2016
|
|
5CFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cfi by Molmil](/molmil-images/mine/5cfi) | |
6HGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hgd by Molmil](/molmil-images/mine/6hgd) | |
6HGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hgg by Molmil](/molmil-images/mine/6hgg) | Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with cortisol | 分子名称: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | 著者 | Schmidt, K, Muller, Y.A. | 登録日 | 2018-08-23 | 公開日 | 2019-05-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.787 Å) | 主引用文献 | NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy. J.Struct.Biol., 207, 2019
|
|
6HGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hgm by Molmil](/molmil-images/mine/6hgm) | |
5G1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g1w by Molmil](/molmil-images/mine/5g1w) | Apo Structure of Linalool Dehydratase-Isomerase | 分子名称: | 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID | 著者 | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | 登録日 | 2016-03-30 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
|
|
5D6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d6t by Molmil](/molmil-images/mine/5d6t) | Crystal Structure of Aspergillus clavatus Sph3 in complex with GalNAc | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, SPHERULIN-4, ... | 著者 | Bamford, N.C, Little, D.J, Howell, P.L. | 登録日 | 2015-08-12 | 公開日 | 2015-09-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Sph3 Is a Glycoside Hydrolase Required for the Biosynthesis of Galactosaminogalactan in Aspergillus fumigatus. J.Biol.Chem., 290, 2015
|
|
5G1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g1u by Molmil](/molmil-images/mine/5g1u) | Linalool Dehydratase Isomerase in complex with Geraniol | 分子名称: | Geraniol, LINALOOL DEHYDRATASE/ISOMERASE | 著者 | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | 登録日 | 2016-03-30 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
|
|
6JTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jtc by Molmil](/molmil-images/mine/6jtc) | Crystal structure of dipeptidyl peptidase 11 (DPP11) with SH-5 from Porphyromonas gingivalis (Space) | 分子名称: | 2-(2-azanylethylamino)-5-nitro-benzoic acid, Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL | 著者 | Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N. | 登録日 | 2019-04-10 | 公開日 | 2019-10-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase. Sci Rep, 9, 2019
|
|
4MS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ms0 by Molmil](/molmil-images/mine/4ms0) | Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine) | 分子名称: | 6-chloropyrimidine-2,4-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 著者 | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | 登録日 | 2013-09-18 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
|
|
5B25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b25 by Molmil](/molmil-images/mine/5b25) | Crystal structure of human PDE1B with inhibitor 3 | 分子名称: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | 著者 | Ida, K, Lane, W, Snell, G, Sogabe, S. | 登録日 | 2016-01-07 | 公開日 | 2016-02-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases J.Med.Chem., 59, 2016
|
|
4NYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nyn by Molmil](/molmil-images/mine/4nyn) | |
4MZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mzj by Molmil](/molmil-images/mine/4mzj) | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide | 分子名称: | Myosin A tail domain interacting protein, Myosin-A | 著者 | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | 登録日 | 2013-09-30 | 公開日 | 2013-11-06 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.474 Å) | 主引用文献 | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
|
|
7DUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7duf by Molmil](/molmil-images/mine/7duf) | Crystal structure of VIM1 PHD finger. | 分子名称: | E3 ubiquitin-protein ligase ORTHRUS 2, ZINC ION | 著者 | Abhishek, S, Deeksha, W, Patel, D.J, Rajakumara, E. | 登録日 | 2021-01-08 | 公開日 | 2021-08-25 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Helical and beta-Turn Conformations in the Peptide Recognition Regions of the VIM1 PHD Finger Abrogate H3K4 Peptide Recognition. Biochemistry, 60, 2021
|
|
4MRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mrz by Molmil](/molmil-images/mine/4mrz) | Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine) | 分子名称: | 4-methyl-3-nitropyridin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 著者 | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | 登録日 | 2013-09-17 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
|
|
4MSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4msa by Molmil](/molmil-images/mine/4msa) | Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole) | 分子名称: | 5-nitro-1H-benzimidazole, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 著者 | Sridar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | 登録日 | 2013-09-18 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
|
|
4MSC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4msc by Molmil](/molmil-images/mine/4msc) | Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline) | 分子名称: | 2-[(quinolin-7-yloxy)methyl]quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 著者 | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | 登録日 | 2013-09-18 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
|
|
3POZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3poz by Molmil](/molmil-images/mine/3poz) | EGFR Kinase domain complexed with tak-285 | 分子名称: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, SULFATE ION | 著者 | Aertgeerts, K, Skene, R, Sogabe, S. | 登録日 | 2010-11-23 | 公開日 | 2011-03-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein. J.Biol.Chem., 286, 2011
|
|
2LI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2li5 by Molmil](/molmil-images/mine/2li5) | NMR structure of Atg8-Atg7C30 complex | 分子名称: | Autophagy-related protein 8, Ubiquitin-like modifier-activating enzyme ATG7 | 著者 | Kumeta, H, Satoo, K, Noda, N.N, Fujioka, Y, Ogura, K, Nakatogawa, H, Ohsumi, Y, Inagaki, F. | 登録日 | 2011-08-23 | 公開日 | 2011-11-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis of Atg8 activation by a homodimeric E1, Atg7. Mol.Cell, 44, 2011
|
|
7OPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7opn by Molmil](/molmil-images/mine/7opn) | Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Aldehyde oxidase, DIMETHYL SULFOXIDE, ... | 著者 | Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. | 登録日 | 2021-06-01 | 公開日 | 2021-09-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
|
|
7ORC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7orc by Molmil](/molmil-images/mine/7orc) | Human Aldehyde Oxidase in complex with Raloxifene | 分子名称: | Aldehyde oxidase, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. | 登録日 | 2021-06-05 | 公開日 | 2021-09-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
|
|
5XP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xp8 by Molmil](/molmil-images/mine/5xp8) | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 4A5 on the guide strand | 分子名称: | DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(*CP*AP*AP*CP*C*AP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*AP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ... | 著者 | Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y. | 登録日 | 2017-06-01 | 公開日 | 2018-04-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes. Nucleic Acids Res., 45, 2017
|
|
6WZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wzw by Molmil](/molmil-images/mine/6wzw) | Ash1L SET domain in complex with AS-85 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ... | 著者 | Li, H, Deng, J, Cierpicki, T, Grembecka, J. | 登録日 | 2020-05-14 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity. Nat Commun, 12, 2021
|
|
5XQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xq2 by Molmil](/molmil-images/mine/5xq2) | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 5A6 on the guide strand | 分子名称: | DNA (5'-D(*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(P*TP*GP*AP*AP*GP*AP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ... | 著者 | Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, D, Wang, Y. | 登録日 | 2017-06-06 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.33 Å) | 主引用文献 | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes Nucleic Acids Res., 45, 2017
|
|
5X6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x6u by Molmil](/molmil-images/mine/5x6u) | Crystal structure of human heteropentameric complex | 分子名称: | Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ... | 著者 | Yonehara, R, Nada, S, Nakai, T, Nakai, M, Kitamura, A, Ogawa, A, Nakatsumi, H, Nakayama, K.I, Li, S, Standley, D.M, Yamashita, E, Nakagawa, A, Okada, M. | 登録日 | 2017-02-23 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for the assembly of the Ragulator-Rag GTPase complex. Nat Commun, 8, 2017
|
|