6TYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tyn by Molmil](/molmil-images/mine/6tyn) | Salmonella Typhi PltB Homopentamer with Neu-5NAc-9OAc-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans | 分子名称: | 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertussis like toxin subunit B | 著者 | Nguyen, T, Milano, S.K, Yang, Y.A, Song, J. | 登録日 | 2019-08-09 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | The role of 9-O-acetylated glycan receptor moieties in the typhoid toxin binding and intoxication. Plos Pathog., 16, 2020
|
|
6J7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j7b by Molmil](/molmil-images/mine/6j7b) | Crystal structure of VASH1-SVBP in complex with epoY | 分子名称: | N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | 著者 | Wang, N, Bao, H, Huang, H, Wu, B. | 登録日 | 2019-01-17 | 公開日 | 2019-06-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.618 Å) | 主引用文献 | Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis. Cell Res., 29, 2019
|
|
6VOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vov by Molmil](/molmil-images/mine/6vov) | Crystal structure of Syk in complex with GS-9876 | 分子名称: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK | 著者 | Lansdon, E.B. | 登録日 | 2020-01-31 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases. Acs Med.Chem.Lett., 11, 2020
|
|
6VT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vt2 by Molmil](/molmil-images/mine/6vt2) | |
6VS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vs7 by Molmil](/molmil-images/mine/6vs7) | Sialic acid binding region of Streptococcus Sanguinis SK1 adhesin | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adhesin, ... | 著者 | Stubbs, H.E, Iverson, T.M. | 登録日 | 2020-02-10 | 公開日 | 2020-08-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Tandem sialoglycan-binding modules in a Streptococcus sanguinis serine-rich repeat adhesin create target dependent avidity effects. J.Biol.Chem., 295, 2020
|
|
6TYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tyo by Molmil](/molmil-images/mine/6tyo) | Salmonella Typhi PltB Homopentamer with Neu-5NAc-4OAc-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans | 分子名称: | 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertussis-like toxin subunit | 著者 | Nguyen, T, Milano, S.K, Yang, Y.A, Song, J. | 登録日 | 2019-08-09 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | The role of 9-O-acetylated glycan receptor moieties in the typhoid toxin binding and intoxication. Plos Pathog., 16, 2020
|
|
6VU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vu6 by Molmil](/molmil-images/mine/6vu6) | |
6V2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v2f by Molmil](/molmil-images/mine/6v2f) | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | 分子名称: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | 著者 | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | 登録日 | 2019-11-22 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Clinical targeting of HIV capsid protein with a long-acting small molecule. Nature, 584, 2020
|
|
3PCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pcd by Molmil](/molmil-images/mine/3pcd) | PROTOCATECHUATE 3,4-DIOXYGENASE Y447H MUTANT | 分子名称: | BETA-MERCAPTOETHANOL, CARBONATE ION, FE (III) ION, ... | 著者 | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | 登録日 | 1997-11-24 | 公開日 | 1998-05-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The axial tyrosinate Fe3+ ligand in protocatechuate 3,4-dioxygenase influences substrate binding and product release: evidence for new reaction cycle intermediates. Biochemistry, 37, 1998
|
|
7XE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xe4 by Molmil](/molmil-images/mine/7xe4) | structure of a membrane-bound glycosyltransferase | 分子名称: | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J. | 登録日 | 2022-03-29 | 公開日 | 2023-03-29 | 最終更新日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1. Nature, 616, 2023
|
|
7YAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yaz by Molmil](/molmil-images/mine/7yaz) | Crystal structure of ZAK in complex with compound YH-186 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2022-06-28 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
|
|
6LB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lb0 by Molmil](/molmil-images/mine/6lb0) | |
7YAW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yaw by Molmil](/molmil-images/mine/7yaw) | Crystal structure of ZAK in complex with compound YH-180 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2022-06-28 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
|
|
7END
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7end by Molmil](/molmil-images/mine/7end) | |
7EN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7en9 by Molmil](/molmil-images/mine/7en9) | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02 | 分子名称: | 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide | 著者 | Hou, N, Peng, C, Hu, Q. | 登録日 | 2021-04-16 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
|
|
7EN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7en8 by Molmil](/molmil-images/mine/7en8) | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 | 分子名称: | 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | 著者 | Hou, N, Peng, C, Hu, Q. | 登録日 | 2021-04-16 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
|
|
7ENE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ene by Molmil](/molmil-images/mine/7ene) | |
5IJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ij2 by Molmil](/molmil-images/mine/5ij2) | SrpA adhesin in complex with sialyllactosamine | 分子名称: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Iverson, T.M. | 登録日 | 2016-03-01 | 公開日 | 2017-02-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.683 Å) | 主引用文献 | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
|
|
5IJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ij1 by Molmil](/molmil-images/mine/5ij1) | SrpA adhesin in complex with sialyllactose | 分子名称: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | 著者 | Iverson, T.M. | 登録日 | 2016-03-01 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
|
|
5IIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iiy by Molmil](/molmil-images/mine/5iiy) | SrpA adhesin in complex with the Neu5Ac-galactoside disaccharide | 分子名称: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | 著者 | Iverson, T.M. | 登録日 | 2016-03-01 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.888 Å) | 主引用文献 | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
|
|
5WC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wc2 by Molmil](/molmil-images/mine/5wc2) | Crystal Structure of ADP-bound human TRIP13 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog | 著者 | Jeong, B.-C, Luo, X. | 登録日 | 2017-06-29 | 公開日 | 2018-04-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing. Nat Commun, 8, 2017
|
|
5IJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ij3 by Molmil](/molmil-images/mine/5ij3) | SrpA adhesin in complex with sialyl T antigen | 分子名称: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, ... | 著者 | Iverson, T.M. | 登録日 | 2016-03-01 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
|
|
6IGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6igc by Molmil](/molmil-images/mine/6igc) | Crystal structure of HPV58/33/52 chimeric L1 pentamer | 分子名称: | Major capsid protein L1 | 著者 | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | 登録日 | 2018-09-25 | 公開日 | 2018-11-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity. Nat Commun, 9, 2018
|
|
6IGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6igd by Molmil](/molmil-images/mine/6igd) | Crystal structure of HPV58/33 chimeric L1 pentamer | 分子名称: | Major capsid protein L1 | 著者 | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | 登録日 | 2018-09-25 | 公開日 | 2018-11-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity. Nat Commun, 9, 2018
|
|
6IGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6igf by Molmil](/molmil-images/mine/6igf) | Crystal structure of Human Papillomavirus type 52 pentamer | 分子名称: | Major capsid protein L1 | 著者 | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | 登録日 | 2018-09-25 | 公開日 | 2018-11-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.751 Å) | 主引用文献 | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity. Nat Commun, 9, 2018
|
|