5G2N
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![BU of 5g2n by Molmil](/molmil-images/mine/5g2n) | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | Deposit date: | 2016-04-11 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946) Chemmedchem, 11, 2016
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4OHU
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![BU of 4ohu by Molmil](/molmil-images/mine/4ohu) | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 | Descriptor: | 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-01-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OIM
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![BU of 4oim by Molmil](/molmil-images/mine/4oim) | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in 2.4 M acetate | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-01-20 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Time-Dependent Diaryl Ether Inhibitors of InhA: Structure-Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy. Chemmedchem, 9, 2014
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4E12
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![BU of 4e12 by Molmil](/molmil-images/mine/4e12) | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | Descriptor: | Diketoreductase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | Deposit date: | 2012-03-05 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase Chem.Commun.(Camb.), 48, 2012
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4DYD
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![BU of 4dyd by Molmil](/molmil-images/mine/4dyd) | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | Deposit date: | 2012-02-28 | Release date: | 2012-11-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase Chem.Commun.(Camb.), 48, 2012
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8HRU
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![BU of 8hru by Molmil](/molmil-images/mine/8hru) | |
8HRI
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![BU of 8hri by Molmil](/molmil-images/mine/8hri) | |
8HRM
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![BU of 8hrm by Molmil](/molmil-images/mine/8hrm) | Cryo-EM structure of streptavidin | Descriptor: | Streptavidin | Authors: | Xu, J, Liu, N, Wang, H.W. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
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8HRK
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![BU of 8hrk by Molmil](/molmil-images/mine/8hrk) | SARS-CoV-2 Delta S-RBD-ACE2 complex | Descriptor: | Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Xu, J, Meng, F, Liu, N, Wang, H.W. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
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8HRN
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![BU of 8hrn by Molmil](/molmil-images/mine/8hrn) | Cryo-EM structure of ACE2 | Descriptor: | Angiotensin-converting enzyme 2 | Authors: | Xu, J, Liu, N, Wang, H.W. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
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8HRL
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![BU of 8hrl by Molmil](/molmil-images/mine/8hrl) | SARS-CoV-2 Delta S-RBD-ACE2 | Descriptor: | Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Xu, J, Meng, F, Liu, N, Wang, H.W. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
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8HRJ
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![BU of 8hrj by Molmil](/molmil-images/mine/8hrj) | |
4E13
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![BU of 4e13 by Molmil](/molmil-images/mine/4e13) | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | Deposit date: | 2012-03-05 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase Chem.Commun.(Camb.), 48, 2012
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3T8A
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![BU of 3t8a by Molmil](/molmil-images/mine/3t8a) | Crystal structure of Mycobacterium tuberculosis MenB in complex with substrate analogue, OSB-NCoA | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, o-succinylbenzoyl-N-coenzyme A | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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4HU8
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![BU of 4hu8 by Molmil](/molmil-images/mine/4hu8) | Crystal Structure of a Bacterial Ig-like Domain Containing GH10 Xylanase from Termite Gut | Descriptor: | GH10 Xylanase, GLYCEROL, SULFATE ION | Authors: | Han, Q, Liu, N, Robinson, H, Cao, L, Qian, C, Wang, Q, Xie, L, Ding, H, Wang, Q, Huang, Y, Li, J, Zhou, Z. | Deposit date: | 2012-11-02 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical characterization and crystal structure of a GH10 xylanase from termite gut bacteria reveal a novel structural feature and significance of its bacterial Ig-like domain. Biotechnol.Bioeng., 110, 2013
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3T8B
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![BU of 3t8b by Molmil](/molmil-images/mine/3t8b) | Crystal structure of Mycobacterium tuberculosis MenB with altered hexameric assembly | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T88
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![BU of 3t88 by Molmil](/molmil-images/mine/3t88) | Crystal structure of Escherichia coli MenB in complex with substrate analogue, OSB-NCoA | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, GLYCEROL, ... | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T89
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![BU of 3t89 by Molmil](/molmil-images/mine/3t89) | Crystal structure of Escherichia coli MenB, the 1,4-dihydroxy-2-naphthoyl-CoA synthase in vitamin K2 biosynthesis | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL, MALONATE ION | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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4OXK
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![BU of 4oxk by Molmil](/molmil-images/mine/4oxk) | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-05 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8429 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OYR
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![BU of 4oyr by Molmil](/molmil-images/mine/4oyr) | Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding | Descriptor: | 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2995 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OXY
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![BU of 4oxy by Molmil](/molmil-images/mine/4oxy) | Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA | Descriptor: | 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-09 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3501 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OXN
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![BU of 4oxn by Molmil](/molmil-images/mine/4oxn) | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-05 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2926 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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7WJG
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![BU of 7wjg by Molmil](/molmil-images/mine/7wjg) | Streptococcus mutans BusR transcriptional factor | Descriptor: | CITRIC ACID, Putative transcriptional regulator (GntR family) | Authors: | Li, X, Liu, N. | Deposit date: | 2022-01-06 | Release date: | 2023-01-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural study of transcriptional factor BusR To Be Published
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8I60
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![BU of 8i60 by Molmil](/molmil-images/mine/8i60) | |
7DQA
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![BU of 7dqa by Molmil](/molmil-images/mine/7dqa) | Cryo-EM structure of SARS-CoV2 RBD-ACE2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Wang, J, Lan, J, Wang, X.Q, Wang, H.W. | Deposit date: | 2020-12-22 | Release date: | 2021-12-29 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Reduced graphene oxide membrane as supporting film for high-resolution cryo-EM Biophys Rep, 7, 2022
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