2HTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2htr by Molmil](/molmil-images/mine/2htr) | N8 neuraminidase in complex with DANA | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Neuraminidase | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2006-07-26 | 公開日 | 2006-09-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
2HT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ht7 by Molmil](/molmil-images/mine/2ht7) | N8 neuraminidase in open complex with oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2006-07-25 | 公開日 | 2006-09-05 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
2HTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2htu by Molmil](/molmil-images/mine/2htu) | N8 neuraminidase in complex with peramivir | 分子名称: | 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, Neuraminidase | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2006-07-26 | 公開日 | 2006-09-05 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
2HTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2htw by Molmil](/molmil-images/mine/2htw) | N4 neuraminidase in complex with DANA | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Neuraminidase | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2006-07-26 | 公開日 | 2006-09-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
2HU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hu0 by Molmil](/molmil-images/mine/2hu0) | N1 neuraminidase in complex with oseltamivir 1 | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2006-07-26 | 公開日 | 2006-09-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
2HTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hty by Molmil](/molmil-images/mine/2hty) | N1 neuraminidase | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2006-07-26 | 公開日 | 2006-09-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
2HU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hu4 by Molmil](/molmil-images/mine/2hu4) | N1 neuraminidase in complex with oseltamivir 2 | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2006-07-26 | 公開日 | 2006-09-05 | 最終更新日 | 2018-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
8QNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qnz by Molmil](/molmil-images/mine/8qnz) | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | 分子名称: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ... | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2023-09-27 | 公開日 | 2023-11-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity. Acs Cent.Sci., 9, 2023
|
|
8BAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bal by Molmil](/molmil-images/mine/8bal) | |
8BDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bdp by Molmil](/molmil-images/mine/8bdp) | |
8BBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bbl by Molmil](/molmil-images/mine/8bbl) | SGL a GH20 family sulfoglycosidase | 分子名称: | Beta-N-acetylhexosaminidase | 著者 | Dong, M.D, Roth, C.R, Jin, Y.J. | 登録日 | 2022-10-13 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | 主引用文献 | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases Acs Catalysis, 2022
|
|
7PSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7psf by Molmil](/molmil-images/mine/7psf) | |
7PSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pse by Molmil](/molmil-images/mine/7pse) | Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ... | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-09-23 | 公開日 | 2022-10-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
|
|
7Q14
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q14 by Molmil](/molmil-images/mine/7q14) | |
5M70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m70 by Molmil](/molmil-images/mine/5m70) | Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | 著者 | Pellegrini, E, Bowler, M.W. | 登録日 | 2016-10-26 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5M6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6x by Molmil](/molmil-images/mine/5m6x) | Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | 著者 | Pellegrini, E, Bowler, M.W. | 登録日 | 2016-10-26 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
7DVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dvb by Molmil](/molmil-images/mine/7dvb) | D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate | 分子名称: | 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate | 著者 | Zhang, Z, He, Y, Jin, Y. | 登録日 | 2021-01-13 | 公開日 | 2022-01-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases Acs Catalysis, 13, 2023
|
|
7DUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dup by Molmil](/molmil-images/mine/7dup) | Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | 著者 | Zhang, Z, He, Y, Jin, Y. | 登録日 | 2021-01-10 | 公開日 | 2022-01-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases Acs Catalysis, 13, 2023
|
|
7DVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dva by Molmil](/molmil-images/mine/7dva) | Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc | 分子名称: | 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL | 著者 | Zhang, Z, He, Y, Jin, Y. | 登録日 | 2021-01-13 | 公開日 | 2022-01-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases Acs Catalysis, 13, 2023
|
|
6Y1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y1l by Molmil](/molmil-images/mine/6y1l) | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant | 分子名称: | DIETHYL PHOSPHONATE, FAB A.17 L47R mutant HEAVY CHAIN, FAB A.17 L47R mutant Light CHAIN, ... | 著者 | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | 登録日 | 2020-02-12 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6Y49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y49 by Molmil](/molmil-images/mine/6y49) | Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | 分子名称: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | 著者 | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | 登録日 | 2020-02-19 | 公開日 | 2020-09-16 | 最終更新日 | 2020-09-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6Y1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y1n by Molmil](/molmil-images/mine/6y1n) | Crystal structure of the phosphonate-modified A.5 antibody FAB fragment | 分子名称: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, FAB A.5 Heavy chain, FAB A.5 Light Chain | 著者 | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | 登録日 | 2020-02-12 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6Y1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y1k by Molmil](/molmil-images/mine/6y1k) | Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant | 分子名称: | FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain | 著者 | Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | 登録日 | 2020-02-12 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6Y1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y1m by Molmil](/molmil-images/mine/6y1m) | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant | 分子名称: | DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN | 著者 | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | 登録日 | 2020-02-12 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
4C4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4s by Molmil](/molmil-images/mine/4c4s) | |