4ZLE
 
 | | Cellobionic acid phosphorylase - ligand free structure | | Descriptor: | CHLORIDE ION, GLYCEROL, Putative b-glycan phosphorylase, ... | | Authors: | Nam, Y.W, Arakawa, T, Fushinobu, S. | | Deposit date: | 2015-05-01 | | Release date: | 2015-06-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
J.Biol.Chem., 290, 2015
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5OGR
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor | | Descriptor: | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, Cathepsin B-like peptidase (C01 family) | | Authors: | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | | Deposit date: | 2017-07-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.
Acs Infect Dis., 2020
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5OGQ
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor | | Descriptor: | ACETATE ION, Cathepsin B-like peptidase (C01 family), ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate | | Authors: | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | | Deposit date: | 2017-07-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.
Acs Infect Dis., 2020
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7R7N
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7R6W
 | | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | Deposit date: | 2021-06-23 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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7R6X
 | | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ... | | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | Deposit date: | 2021-06-23 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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5ZFI
 | | Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide, Kallikrein-7 | | Authors: | Sugawara, H. | | Deposit date: | 2018-03-06 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
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5ZFH
 | | Mouse Kallikrein 7 | | Descriptor: | Kallikrein-7 | | Authors: | Sugawara, H. | | Deposit date: | 2018-03-06 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
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5X18
 | | Crystal structure of Casein kinase I homolog 1 | | Descriptor: | Casein kinase I homolog 1, GLYCEROL, MALONIC ACID | | Authors: | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | | Deposit date: | 2017-01-25 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
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8ERQ
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8ERR
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5X17
 | | Crystal structure of murine CK1d in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION | | Authors: | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | | Deposit date: | 2017-01-25 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
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8YBE
 | | Cryo-EM structure of Maltose Binding Protein | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Yoo, Y, Park, K, Kim, H. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Atomic resolution structure of MBP using Cryo-EM
To Be Published
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5TF9
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8C25
 | | purine nucleoside phosphorylase in complex with JS-375 | | Descriptor: | CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-12-21 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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1LLD
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5H4S
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1LTH
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5GZK
 | | Endo-beta-1,2-glucanase from Chitinophaga pinensis - sophorotriose and glucose complex | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | | Authors: | Abe, K, Nakajima, M, Arakawa, T, Fushinobu, S, Taguchi, H. | | Deposit date: | 2016-09-28 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and structural analyses of a bacterial endo-beta-1,2-glucanase reveal a new glycoside hydrolase family
J. Biol. Chem., 292, 2017
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5GZH
 | | Endo-beta-1,2-glucanase from Chitinophaga pinensis - ligand free form | | Descriptor: | Endo-beta-1,2-glucanase, IODIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Abe, K, Nakajima, M, Arakawa, T, Fushinobu, S, Taguchi, H. | | Deposit date: | 2016-09-28 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical and structural analyses of a bacterial endo-beta-1,2-glucanase reveal a new glycoside hydrolase family
J. Biol. Chem., 292, 2017
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2E28
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2WXD
 | | A MICROMOLAR O-SULFATED THIOHYDROXIMATE INHIBITOR BOUND TO PLANT MYROSINASE | | Descriptor: | 2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Besle, A, Burmeister, W.P. | | Deposit date: | 2009-11-09 | | Release date: | 2010-02-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Micromolar O-Sulfated Thiohydroximate Inhibitor Bound to Plant Myrosinase
Acta Crystallogr.,Sect.F, 66, 2010
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5ENS
 | | Rhodamine bound structure of bacterial efflux pump. | | Descriptor: | DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB, RHODAMINE 6G | | Authors: | Sjuts, H, Ornik, A.R, Pos, K.M. | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5ENO
 | | MBX2319 bound structure of bacterial efflux pump. | | Descriptor: | 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB | | Authors: | Sjuts, H, Ornik, A.R, Pos, K.M. | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5EN5
 | | Apo structure of bacterial efflux pump. | | Descriptor: | DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB | | Authors: | Sjuts, H, Ornik, A.R, Pos, K.M. | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
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