7NEF
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![BU of 7nef by Molmil](/molmil-images/mine/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
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![BU of 7new by Molmil](/molmil-images/mine/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
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![BU of 5nbn by Molmil](/molmil-images/mine/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
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![BU of 3cdu by Molmil](/molmil-images/mine/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
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![BU of 3cdw by Molmil](/molmil-images/mine/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
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![BU of 5n3s by Molmil](/molmil-images/mine/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
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![BU of 7mdc by Molmil](/molmil-images/mine/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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![BU of 5ni2 by Molmil](/molmil-images/mine/5ni2) | |
5NIA
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![BU of 5nia by Molmil](/molmil-images/mine/5nia) | |
5NGV
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![BU of 5ngv by Molmil](/molmil-images/mine/5ngv) | |
5NID
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![BU of 5nid by Molmil](/molmil-images/mine/5nid) | |
5N37
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![BU of 5n37 by Molmil](/molmil-images/mine/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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![BU of 5n3m by Molmil](/molmil-images/mine/5n3m) | |
3BOS
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![BU of 3bos by Molmil](/molmil-images/mine/3bos) | |
7MQS
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![BU of 7mqs by Molmil](/molmil-images/mine/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
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![BU of 1vg4 by Molmil](/molmil-images/mine/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
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![BU of 7mqr by Molmil](/molmil-images/mine/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
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![BU of 5nqg by Molmil](/molmil-images/mine/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
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![BU of 5nnh by Molmil](/molmil-images/mine/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
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![BU of 5n3l by Molmil](/molmil-images/mine/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
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![BU of 5n1g by Molmil](/molmil-images/mine/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
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![BU of 5n3g by Molmil](/molmil-images/mine/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
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![BU of 1vg7 by Molmil](/molmil-images/mine/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
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![BU of 5n39 by Molmil](/molmil-images/mine/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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