2HTQ
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![BU of 2htq by Molmil](/molmil-images/mine/2htq) | N8 neuraminidase in complex with zanamivir | Descriptor: | Neuraminidase, ZANAMIVIR | Authors: | 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. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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2HT5
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![BU of 2ht5 by Molmil](/molmil-images/mine/2ht5) | N8 Neuraminidase | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Neuraminidase | Authors: | 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. | Deposit date: | 2006-07-25 | Release date: | 2006-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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2HTR
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![BU of 2htr by Molmil](/molmil-images/mine/2htr) | N8 neuraminidase in complex with DANA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Neuraminidase | Authors: | 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. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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2HTU
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![BU of 2htu by Molmil](/molmil-images/mine/2htu) | N8 neuraminidase in complex with peramivir | Descriptor: | 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, Neuraminidase | Authors: | 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. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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2HT7
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![BU of 2ht7 by Molmil](/molmil-images/mine/2ht7) | N8 neuraminidase in open complex with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | Authors: | 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. | Deposit date: | 2006-07-25 | Release date: | 2006-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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8QNZ
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![BU of 8qnz by Molmil](/molmil-images/mine/8qnz) | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | Descriptor: | (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, ... | Authors: | Zhou, Q, He, Y, Jin, Y. | Deposit date: | 2023-09-27 | Release date: | 2023-11-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | 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
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5M70
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![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 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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5M6X
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![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 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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4C4S
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2XE6
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![BU of 2xe6 by Molmil](/molmil-images/mine/2xe6) | The complete reaction cycle of human phosphoglycerate kinase: The open binary complex with 3PG | Descriptor: | 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1 | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | Deposit date: | 2010-05-11 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase. J.Biol.Chem., 286, 2011
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2XE8
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![BU of 2xe8 by Molmil](/molmil-images/mine/2xe8) | The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and AMP-PNP | Descriptor: | 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | Deposit date: | 2010-05-11 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase. J.Biol.Chem., 286, 2011
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2XE7
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![BU of 2xe7 by Molmil](/molmil-images/mine/2xe7) | The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and ADP | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, PHOSPHOGLYCERATE KINASE 1 | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | Deposit date: | 2010-05-11 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase. J.Biol.Chem., 286, 2011
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4C4T
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![BU of 4c4t by Molmil](/molmil-images/mine/4c4t) | |
4C4R
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![BU of 4c4r by Molmil](/molmil-images/mine/4c4r) | |
7NRJ
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![BU of 7nrj by Molmil](/molmil-images/mine/7nrj) | |
7O5T
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![BU of 7o5t by Molmil](/molmil-images/mine/7o5t) | |
7O5N
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![BU of 7o5n by Molmil](/molmil-images/mine/7o5n) | Crystal Structure of a Class D carbapenemase complexed with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ... | Authors: | Zhou, Q, Zhang, Z, He, Y, Jin, Y. | Deposit date: | 2021-04-09 | Release date: | 2022-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
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7O9N
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6Y49
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![BU of 6y49 by Molmil](/molmil-images/mine/6y49) | Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | Descriptor: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-19 | Release date: | 2020-09-16 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1N
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![BU of 6y1n by Molmil](/molmil-images/mine/6y1n) | Crystal structure of the phosphonate-modified A.5 antibody FAB fragment | Descriptor: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, FAB A.5 Heavy chain, FAB A.5 Light Chain | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1K
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![BU of 6y1k by Molmil](/molmil-images/mine/6y1k) | Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant | Descriptor: | FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain | Authors: | Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1M
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![BU of 6y1m by Molmil](/molmil-images/mine/6y1m) | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1L
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![BU of 6y1l by Molmil](/molmil-images/mine/6y1l) | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47R mutant HEAVY CHAIN, FAB A.17 L47R mutant Light CHAIN, ... | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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8BAL
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![BU of 8bal by Molmil](/molmil-images/mine/8bal) | |
8BDP
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![BU of 8bdp by Molmil](/molmil-images/mine/8bdp) | |