7NEF
 
 | | Fucosylated linear peptide Fln65 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.5 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fln65, ... | | Authors: | Personne, H, Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2021-02-03 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
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7NEW
 | | Fucosylated heterochiral linear peptide Fdln69 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 2.0 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | | Authors: | Personne, H, Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
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5NBN
 | | Crystal structure of the Arp4-N-actin-Arp8-Ino80HSA module of INO80 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-like protein ARP8, ... | | Authors: | Knoll, K.R, Eustermann, S, Hopfner, K.P. | | Deposit date: | 2017-03-02 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling.
Nat. Struct. Mol. Biol., 25, 2018
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3CDU
 | | Crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase (3Dpol) in complex with a pyrophosphate | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Gruez, A, Selisko, B, Roberts, M, Bricogne, G, Bussetta, C, Canard, B. | | Deposit date: | 2008-02-27 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase in complex with its protein primer VPg confirms the existence of a second VPg binding site on Picornaviridae polymerases
J.Virol., 82, 2008
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3CDW
 | | Crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase (3Dpol) in complex with protein primer VPg and a pyrophosphate | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Gruez, A, Selisko, B, Roberts, M, Bricogne, G, Bussetta, C, Canard, B. | | Deposit date: | 2008-02-27 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase in complex with its protein primer VPg confirms the existence of a second VPg binding site on Picornaviridae polymerases
J.Virol., 82, 2008
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5N3S
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Hydroxybenzamide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
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7MDC
 | | Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | | Deposit date: | 2021-04-03 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A small molecule inhibitor prevents gut bacterial genotoxin production.
Nat.Chem.Biol., 19, 2023
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5N3P
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5NI2
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5NIA
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5NGV
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5NID
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5N37
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium, DIMETHYL SULFOXIDE, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.589 Å) | | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
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5N3M
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3BOS
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7MQS
 | | The insulin receptor ectodomain in complex with three venom hybrid insulin molecules - asymmetric conformation | | Descriptor: | Insulin A chain, Insulin B chain, Isoform Short of Insulin receptor | | Authors: | Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C. | | Deposit date: | 2021-05-06 | | Release date: | 2022-03-16 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
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1VG4
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima F132A/L128A mutant | | Descriptor: | octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products
Biochemistry, 43, 2004
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7MQR
 | | The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | | Authors: | Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C. | | Deposit date: | 2021-05-06 | | Release date: | 2022-03-16 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
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5NQG
 | | Crystal structure of Plasmodium vivax AMA1 in complex with a 39 aa PvRON2 peptide | | Descriptor: | Apical merozoite antigen 1, RON2 | | Authors: | Vulliez-le Normand, B, Saul, F.A, Faber, B.W, Bentley, G.A. | | Deposit date: | 2017-04-20 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Cross-reactivity between apical membrane antgen 1 and rhoptry neck protein 2 in P. vivax and P. falciparum: A structural and binding study.
PLoS ONE, 12, 2017
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5NNH
 | | KSHV uracil-DNA glycosylase, apo form | | Descriptor: | SULFATE ION, Uracil-DNA glycosylase | | Authors: | Earl, C, Bagneris, C, Cole, A.R, Barrett, T, Savva, R. | | Deposit date: | 2017-04-09 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A structurally conserved motif in gamma-herpesvirus uracil-DNA glycosylases elicits duplex nucleotide-flipping.
Nucleic Acids Res., 46, 2018
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5N3L
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Noradrenaline, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
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5N1G
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-(2-Amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-06 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
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5N3G
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (R)-1,4-oxazepan-6-ol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6~{R})-1,4-oxazepan-6-ol, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
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1VG7
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima F132A/L128A/I123A/D62A mutant | | Descriptor: | octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products
Biochemistry, 43, 2004
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5N39
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine | | Descriptor: | (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
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