7K43
 
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1LLD
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7K4N
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7K3Q
 | | An ultra-potent human neutralizing antibody locks the SARS-CoV-2 spike in the closed conformation | | Descriptor: | 1,2-ETHANEDIOL, Fab fragment of S2E12 monoclonal antibody, heavy chain, ... | | Authors: | Snell, G, Czudnochowski, N, Ng, C. | | Deposit date: | 2020-09-12 | | Release date: | 2020-10-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
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1LTH
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8ERR
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8ERQ
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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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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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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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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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5ENT
 | | Minocycline bound structure of bacterial efflux pump. | | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, DARPin, DI(HYDROXYETHYL)ETHER, ... | | 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 (2.5 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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5ENR
 | | MBX3135 bound structure of bacterial efflux pump. | | Descriptor: | DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB, ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide | | Authors: | Sjuts, H, Ornik, A.R, Pos, K.M. | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-05-08 | | 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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5ENP
 | | MBX2931 bound structure of bacterial efflux pump. | | Descriptor: | 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-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 (1.9 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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5ENQ
 | | MBX3132 bound structure of bacterial efflux pump. | | Descriptor: | DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB, ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide | | 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 (1.8 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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8A5X
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7ZSO
 | | human purine nucleoside phosphorylase in complex with JS-554 | | Descriptor: | GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSL
 | | human purine nucleoside phosphorylase in complex with JS-196 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSM
 | | human purine nucleoside phosphorylase in complex with JS-375 | | Descriptor: | CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSQ
 | | human purine nucleoside phosphorylase in complex with JS-555 | | Descriptor: | 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-08 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSR
 | | purine nucleoside phosphorylase in complex with JS-379 | | Descriptor: | ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-08 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSN
 | | human purine nucleoside phosphorylase in complex with JS-379 | | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSP
 | | human purine nucleoside phosphorylase in complex with JS-555 | | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-08 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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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
 | | 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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