4D3M
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4D3J
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![BU of 4d3j by Molmil](/molmil-images/mine/4d3j) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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4D3K
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![BU of 4d3k by Molmil](/molmil-images/mine/4d3k) | Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.017 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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4D3N
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4D3U
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4D3I
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![BU of 4d3i by Molmil](/molmil-images/mine/4d3i) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), GLYCEROL, N-PROPANOL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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5IE7
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![BU of 5ie7 by Molmil](/molmil-images/mine/5ie7) | Crystal structure of a lactonase double mutant in complex with substrate b | Descriptor: | (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | Authors: | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-25 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
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4D3T
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5IE6
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![BU of 5ie6 by Molmil](/molmil-images/mine/5ie6) | Crystal structure of a lactonase mutant in complex with substrate b | Descriptor: | (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | Authors: | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-25 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
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5IE5
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![BU of 5ie5 by Molmil](/molmil-images/mine/5ie5) | Crystal structure of a lactonase double mutant in complex with substrate a | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | Authors: | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-25 | Release date: | 2017-01-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
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7YOX
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7ZOI
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![BU of 7zoi by Molmil](/molmil-images/mine/7zoi) | Carbohydrate binding domain CBM92-A from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 | Descriptor: | Glycoside hydrolase family 18 | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-25 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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7ZOO
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![BU of 7zoo by Molmil](/molmil-images/mine/7zoo) | Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with gentiobiose | Descriptor: | Glycoside hydrolase family 18, beta-D-glucopyranose | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-26 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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7ZON
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![BU of 7zon by Molmil](/molmil-images/mine/7zon) | Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with glucose | Descriptor: | Glycoside hydrolase family 18, PENTAETHYLENE GLYCOL, beta-D-glucopyranose | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-26 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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7ZOH
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![BU of 7zoh by Molmil](/molmil-images/mine/7zoh) | Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 | Descriptor: | Glycoside hydrolase family 18 | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-25 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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7ZOP
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![BU of 7zop by Molmil](/molmil-images/mine/7zop) | Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with sophorose. | Descriptor: | Glycoside hydrolase family 18, beta-D-glucopyranose | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-26 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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8XJJ
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![BU of 8xjj by Molmil](/molmil-images/mine/8xjj) | Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 | Descriptor: | 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1 | Authors: | Ren, X. | Deposit date: | 2023-12-21 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers. Mol.Cancer Ther., 2024
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4D3O
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![BU of 4d3o by Molmil](/molmil-images/mine/4d3o) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine | Descriptor: | 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-23 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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5IE4
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![BU of 5ie4 by Molmil](/molmil-images/mine/5ie4) | Crystal structure of a lactonase mutant in complex with substrate a | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | Authors: | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-25 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
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5UN8
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5TKE
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![BU of 5tke by Molmil](/molmil-images/mine/5tke) | Crystal Structure of Eukaryotic Hydrolase | Descriptor: | O-GlcNAcase: chimera construct | Authors: | Li, B, Jiang, J. | Deposit date: | 2016-10-06 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.481 Å) | Cite: | Structures of human O-GlcNAcase and its complexes reveal a new substrate recognition mode. Nat. Struct. Mol. Biol., 24, 2017
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5KWA
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5UN9
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![BU of 5un9 by Molmil](/molmil-images/mine/5un9) | The crystal structure of human O-GlcNAcase in complex with Thiamet-G | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, Protein O-GlcNAcase | Authors: | Li, B, Jiang, J. | Deposit date: | 2017-01-30 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of human O-GlcNAcase and its complexes reveal a new substrate recognition mode. Nat. Struct. Mol. Biol., 24, 2017
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8Y6F
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7SI9
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![BU of 7si9 by Molmil](/molmil-images/mine/7si9) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-10-12 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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