6QAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qac by Molmil](/molmil-images/mine/6qac) | Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(3-cycloheptylpropyl)-3-(1H-indol-3-yl)propanamide | 分子名称: | (2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide, 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 | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | 登録日 | 2018-12-19 | 公開日 | 2019-03-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.771 Å) | 主引用文献 | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
|
|
2KHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2khc by Molmil](/molmil-images/mine/2khc) | |
4ARE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4are by Molmil](/molmil-images/mine/4are) | Crystal structure of the collagenase Unit of collagenase G from Clostridium histolyticum at 2.19 angstrom resolution. | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, COLLAGENASE G, ... | 著者 | Eckhard, U, Brandstetter, H. | 登録日 | 2012-04-23 | 公開日 | 2013-06-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T. J.Biol.Chem., 288, 2013
|
|
7PCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pch by Molmil](/molmil-images/mine/7pch) | Human carboxyhemoglobin bound to Staphylococcus aureus hemophore IsdB - 1:2 complex | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein B, ... | 著者 | De Bei, O, Gianquinto, E, Chirgadze, D.Y, Hardwick, S.W, Spyrakis, F, Luisi, B.F, Campanini, B. | 登録日 | 2021-08-03 | 公開日 | 2022-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | 主引用文献 | Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7PCQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pcq by Molmil](/molmil-images/mine/7pcq) | Human carboxyhemoglobin bound to Staphylococcus aureus hemophore IsdB - 1:1 complex | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein B, ... | 著者 | De Bei, O, Gianquinto, E, Chirgadze, D.Y, Hardwick, S.W, Spyrakis, F, Luisi, B.F, Campanini, B. | 登録日 | 2021-08-03 | 公開日 | 2022-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | 主引用文献 | Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7PCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pcf by Molmil](/molmil-images/mine/7pcf) | Human methemoglobin bound to Staphylococcus aureus hemophore IsdB | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein B, ... | 著者 | De Bei, O, Gianquinto, E, Chirgadze, D.Y, Hardwick, S.W, Spyrakis, F, Luisi, B.F, Campanini, B. | 登録日 | 2021-08-03 | 公開日 | 2022-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (5.82 Å) | 主引用文献 | Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
6W1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w1j by Molmil](/molmil-images/mine/6w1j) | Cryo-EM structure of 5HT3A receptor in presence of Alosetron | 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-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | 著者 | Basak, S, Chakrapani, S. | 登録日 | 2020-03-04 | 公開日 | 2021-01-13 | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | 主引用文献 | High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition. Elife, 9, 2020
|
|
6WK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wk3 by Molmil](/molmil-images/mine/6wk3) | |
5NSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nsf by Molmil](/molmil-images/mine/5nsf) | Structure of AzuAla | 分子名称: | (2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid, CALCIUM ION, GLYCEROL, ... | 著者 | Martins, B.M. | 登録日 | 2017-04-26 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.426 Å) | 主引用文献 | Site-Resolved Observation of Vibrational Energy Transfer Using a Genetically Encoded Ultrafast Heater. Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
5KH7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kh7 by Molmil](/molmil-images/mine/5kh7) | Crystal structure of fragment (3-[6-Oxo-3-(3-pyridinyl)-1(6H)-pyridazinyl]propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | 分子名称: | 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | 著者 | Harding, R.J, Walker, J, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-14 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
|
|
4AM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4am8 by Molmil](/molmil-images/mine/4am8) | |
6C4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c4a by Molmil](/molmil-images/mine/6c4a) | Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with pyruvate | 分子名称: | 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kreitler, D.F, Ray, S, Murkin, A.S, Gulick, A.M. | 登録日 | 2018-01-11 | 公開日 | 2018-06-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition. ACS Chem. Biol., 13, 2018
|
|
3RQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rqn by Molmil](/molmil-images/mine/3rqn) | Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3*R*,4*R*)-4-(2-(((*S* )-1-(3-fluorophenyl)propan-2-yl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | 著者 | Li, H, Delker, S.L, Poulos, T.L. | 登録日 | 2011-04-28 | 公開日 | 2012-05-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
|
|
6PYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pyu by Molmil](/molmil-images/mine/6pyu) | Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one) | 分子名称: | (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Lesburg, C.A, Augustin, M.A. | 登録日 | 2019-07-30 | 公開日 | 2019-08-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6NP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6np0 by Molmil](/molmil-images/mine/6np0) | Cryo-EM structure of 5HT3A receptor in presence of granisetron | 分子名称: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 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 | Basak, S, Chakrapani, S. | 登録日 | 2019-01-17 | 公開日 | 2019-07-24 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | 主引用文献 | Molecular mechanism of setron-mediated inhibition of full-length 5-HT3Areceptor. Nat Commun, 10, 2019
|
|
4A8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a8p by Molmil](/molmil-images/mine/4a8p) | Crystal structure of putrescine transcarbamylase from Enterococcus faecalis with N5-(phosphonoacetyl)-L-ornithine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(PHOSPHONOACETYL)-L-ORNITHINE, NICKEL (II) ION, ... | 著者 | Polo, L.M, Gil-Ortiz, F, Rubio, V. | 登録日 | 2011-11-21 | 公開日 | 2012-02-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | New Insight Into the Transcarbamylase Family: The Structure of Putrescine Transcarbamylase, a Key Catalyst for Fermentative Utilization of Agmatine Plos One, 7, 2012
|
|
6MZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mzj by Molmil](/molmil-images/mine/6mzj) | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 2 Fabs bound, sharpened map | 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, 426c DS-SOSIP D3, ... | 著者 | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | 登録日 | 2018-11-05 | 公開日 | 2018-11-14 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core. Elife, 7, 2018
|
|
6N8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n8d by Molmil](/molmil-images/mine/6n8d) | |
4AWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4awe by Molmil](/molmil-images/mine/4awe) | The Crystal Structure of Chrysonilia sitophila endo-beta-D-1,4- mannanase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 | Goncalves, A.M.D, Silva, C.S, De Sanctis, D, Bento, I. | 登録日 | 2012-06-01 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Endo-Beta-D-1,4-Mannanase from Chrysonilia Sitophila Displays a Novel Loop Arrangement for Substrate Selectivity Acta Crystallogr.,Sect.D, 68, 2012
|
|
6NZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nz8 by Molmil](/molmil-images/mine/6nz8) | Structure of carbamylated apo OXA-231 carbapenemase | 分子名称: | Beta-lactamase OXA-231, CHLORIDE ION, SODIUM ION | 著者 | Favaro, D.C, Llontop, E.E, Vasconcelos, F.N, Antunes, V.U, Farah, S.C, Lincopan, N. | 登録日 | 2019-02-13 | 公開日 | 2020-02-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Importance of the beta 5-beta 6 Loop for the Structure, Catalytic Efficiency, and Stability of Carbapenem-Hydrolyzing Class D beta-Lactamase Subfamily OXA-143. Biochemistry, 58, 2019
|
|
8ESV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8esv by Molmil](/molmil-images/mine/8esv) | |
7PHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7phg by Molmil](/molmil-images/mine/7phg) | MaP OF P5C3RBD Interface | 分子名称: | Heavy ChaIn variable, Light ChaIn, Surface glycoprotein | 著者 | Perez, L. | 登録日 | 2021-08-17 | 公開日 | 2021-10-13 | 最終更新日 | 2021-10-27 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
|
|
7G9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7g9h by Molmil](/molmil-images/mine/7g9h) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102245-001 | 分子名称: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 実験手法 | X-RAY DIFFRACTION (2.746 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7g8z by Molmil](/molmil-images/mine/7g8z) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1493056027 | 分子名称: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.509 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7g82 by Molmil](/molmil-images/mine/7g82) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010 | 分子名称: | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.409 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|