6VU1
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6DWV
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![BU of 6dwv by Molmil](/molmil-images/mine/6dwv) | Crystal structure of the LigJ Hydratase in the Apo state | Descriptor: | 4-oxalomesaconate hydratase, ZINC ION | Authors: | Mabanglo, M.F, Raushel, F.M. | Deposit date: | 2018-06-28 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway. Biochemistry, 57, 2018
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6DXS
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![BU of 6dxs by Molmil](/molmil-images/mine/6dxs) | Crystal structure of the LigJ hydratase E284Q mutant substrate complex with (3Z)-2-keto-4-carboxy-3-hexenedioate | Descriptor: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION | Authors: | Mabanglo, M.F, Raushel, F.M, Hogancamp, T.N. | Deposit date: | 2018-06-29 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway. Biochemistry, 57, 2018
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6DXQ
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![BU of 6dxq by Molmil](/molmil-images/mine/6dxq) | Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate | Descriptor: | (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION | Authors: | Mabanglo, M.F, Raushel, F.M. | Deposit date: | 2018-06-29 | Release date: | 2018-09-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway. Biochemistry, 57, 2018
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6DUC
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![BU of 6duc by Molmil](/molmil-images/mine/6duc) | Crystal structure of mutant beta-K167T tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid (1D0) at the beta-site | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2018-06-20 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate (P1T) at the beta site, and cesium ion at the metal coordination site. To be Published
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6DZO
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![BU of 6dzo by Molmil](/molmil-images/mine/6dzo) | Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2018-07-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site To be Published
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6EOU
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6DZ4
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![BU of 6dz4 by Molmil](/molmil-images/mine/6dz4) | Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2018-07-02 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta site To be Published
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6E4T
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![BU of 6e4t by Molmil](/molmil-images/mine/6e4t) | Structure of AMPK bound to activator | Descriptor: | 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2018-07-18 | Release date: | 2018-08-08 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK). J. Med. Chem., 61, 2018
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6E4U
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![BU of 6e4u by Molmil](/molmil-images/mine/6e4u) | Structure of AMPK bound to activator | Descriptor: | 1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2018-07-18 | Release date: | 2018-08-08 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK). J. Med. Chem., 61, 2018
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6E4W
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![BU of 6e4w by Molmil](/molmil-images/mine/6e4w) | Structure of AMPK bound to activator | Descriptor: | 1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2018-07-18 | Release date: | 2018-08-08 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK). J. Med. Chem., 61, 2018
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6F4C
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![BU of 6f4c by Molmil](/molmil-images/mine/6f4c) | Nicotiana benthamiana alpha-galactosidase | Descriptor: | alpha-galactosidase | Authors: | Kytidou, K, Aerts, J.M.F.G, Pannu, N.S. | Deposit date: | 2017-11-29 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nicotiana benthamianaalpha-galactosidase A1.1 can functionally complement human alpha-galactosidase A deficiency associated with Fabry disease. J. Biol. Chem., 293, 2018
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6FQI
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![BU of 6fqi by Molmil](/molmil-images/mine/6fqi) | GluA2(flop) G724C ligand binding core dimer bound to L-Glutamate (Form B) at 2.91 Angstrom resolution | Descriptor: | GLUTAMIC ACID, Glutamate receptor 2 | Authors: | Coombs, I.D, Soto, D, Gold, M.G, Farrant, M.F, Cull-Candy, S.G. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.91001153 Å) | Cite: | Homomeric GluA2(R) AMPA receptors can conduct when desensitized. Nat Commun, 10, 2019
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6FQK
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![BU of 6fqk by Molmil](/molmil-images/mine/6fqk) | GluA2(flop) S729C ligand binding core dimer bound to ZK200775 at 1.98 Angstrom resolution | Descriptor: | Glutamate receptor 2,Glutamate receptor 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | Authors: | Coombs, I.D, Soto, D, Gold, M.G, Farrant, M.F, Cull-Candy, S.G. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.98010445 Å) | Cite: | Homomeric GluA2(R) AMPA receptors can conduct when desensitized. Nat Commun, 10, 2019
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6FQJ
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![BU of 6fqj by Molmil](/molmil-images/mine/6fqj) | GluA2(flop) G724C ligand binding core dimer bound to ZK200775 at 2.50 Angstrom resolution | Descriptor: | Glutamate receptor 2,Glutamate receptor 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | Authors: | Coombs, I.D, Soto, D, Gold, M.G, Farrant, M.F, Cull-Candy, S.G. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.500017 Å) | Cite: | Homomeric GluA2(R) AMPA receptors can conduct when desensitized. Nat Commun, 10, 2019
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8W6B
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8IO5
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![BU of 8io5 by Molmil](/molmil-images/mine/8io5) | Herg1a-herg1b closed state 2 | Descriptor: | Potassium voltage-gated channel subfamily H member 2 | Authors: | Zhang, M.F. | Deposit date: | 2023-03-10 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of Herg1a-herg1b open state To Be Published
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8V4Q
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![BU of 8v4q by Molmil](/molmil-images/mine/8v4q) | Myxococcus xanthus EncA 3xHis pore mutant with tetrahedral symmetry | Descriptor: | Type 1 encapsulin shell protein EncA | Authors: | Szyszka, T.N, Andreas, M.P, Lie, F, Miller, L.M, Adamson, L.S.R, Fatehi, F, Twarock, R, Draper, B.E, Jarrold, M.F, Giessen, T.W, Lau, Y.H. | Deposit date: | 2023-11-29 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Point mutation in a virus-like capsid drives symmetry reduction to form tetrahedral cages. Proc.Natl.Acad.Sci.USA, 121, 2024
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8IOB
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![BU of 8iob by Molmil](/molmil-images/mine/8iob) | Herg1a-herg1b closed state 1 | Descriptor: | Potassium voltage-gated channel subfamily H member 2 | Authors: | Zhang, M.F. | Deposit date: | 2023-03-10 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of Herg1a-herg1b closed state 1 To Be Published
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8W68
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![BU of 8w68 by Molmil](/molmil-images/mine/8w68) | Crystal structure of Q9PR55 at pH 6.0 (use NMR model) | Descriptor: | Uncharacterized protein UU089.1 | Authors: | Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D. | Deposit date: | 2023-08-28 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot. J.Biol.Chem., 300, 2023
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8IO4
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![BU of 8io4 by Molmil](/molmil-images/mine/8io4) | Herg1a-herg1b open state | Descriptor: | Potassium voltage-gated channel subfamily H member 2 | Authors: | Zhang, M.F. | Deposit date: | 2023-03-10 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of Herg1a-herg1b open state To Be Published
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8V4N
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![BU of 8v4n by Molmil](/molmil-images/mine/8v4n) | Myxococcus xanthus EncA 3xHis pore mutant with T=1 icosahedral symmetry | Descriptor: | Type 1 encapsulin shell protein EncA | Authors: | Szyszka, T.N, Andreas, M.P, Lie, F, Miller, L.M, Adamson, L.S.R, Fatehi, F, Twarock, R, Draper, B.E, Jarrold, M.F, Giessen, T.W, Lau, Y.H. | Deposit date: | 2023-11-29 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Point mutation in a virus-like capsid drives symmetry reduction to form tetrahedral cages. Proc.Natl.Acad.Sci.USA, 121, 2024
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966C
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![BU of 966c by Molmil](/molmil-images/mine/966c) | CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID | Descriptor: | CALCIUM ION, MMP-1, N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE, ... | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | Deposit date: | 1998-08-07 | Release date: | 1999-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat.Struct.Biol., 6, 1999
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8W6A
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5HF8
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![BU of 5hf8 by Molmil](/molmil-images/mine/5hf8) | Crystal structure of human acetylcholinesterase in complex with paraoxon (alternative acyl loop conformation) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | Deposit date: | 2016-01-06 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface. Proteins, 84, 2016
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