5FFG
| Crystal structure of integrin alpha V beta 6 head | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dong, X, Springer, T.A. | Deposit date: | 2015-12-18 | Release date: | 2017-01-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Force interacts with macromolecular structure in activation of TGF-beta. Nature, 542, 2017
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6LAZ
| the wildtype SAM-VI riboswitch bound to a N-mustard SAM analog M1 | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate, MAGNESIUM ION, RNA (55-MER), ... | Authors: | Ren, A, Sun, A. | Deposit date: | 2019-11-13 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination. Nat Commun, 10, 2019
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6GS4
| Crystal structure of peptide transporter DtpA-nanobody in complex with valganciclovir | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Dipeptide and tripeptide permease A, [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate, ... | Authors: | Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C. | Deposit date: | 2018-06-13 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.645 Å) | Cite: | Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1. J. Am. Chem. Soc., 141, 2019
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4Y53
| Endothiapepsin in complex with fragment 54 | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine, Endothiapepsin, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5FPO
| Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. | Descriptor: | 1H-indazol-7-amine, DNA LIGASE | Authors: | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | Deposit date: | 2015-12-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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6V93
| Structure of DNA Polymerase Zeta/DNA/dNTP Ternary Complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA, ... | Authors: | Malik, R, Kopylov, M, Jain, R, Ubarrextena-Belandia, I, Aggarwal, A.K. | Deposit date: | 2019-12-13 | Release date: | 2020-08-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure and mechanism of B-family DNA polymerase zeta specialized for translesion DNA synthesis. Nat.Struct.Mol.Biol., 27, 2020
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8E7H
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8QME
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8UVU
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5JM4
| Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | Deposit date: | 2016-04-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions. J. Med. Chem., 60, 2017
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7UWY
| NMR solution structure of the De novo designed small beta-barrel protein 29_bp_sh3 | Descriptor: | De novo designed small beta-barrel protein 29_bp_sh3 | Authors: | Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D. | Deposit date: | 2022-05-04 | Release date: | 2023-03-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of small beta barrel proteins. Proc.Natl.Acad.Sci.USA, 120, 2023
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6V7Y
| Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | Authors: | Shahine, A, Rossjohn, J. | Deposit date: | 2019-12-10 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response. Nat Cancer, 2020
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8ASF
| Crystal structure of Thrombin in complex with macrocycle T1 | Descriptor: | 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide, Thrombin heavy chain, Thrombin light chain | Authors: | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | Deposit date: | 2022-08-19 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
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6FI4
| Crystal structure of C-terminal modified Tau peptide-hybrid 3.2e with 14-3-3sigma | Descriptor: | (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-01-17 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
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4TU3
| Crystal structure of yeast Sac1/Vps74 complex | Descriptor: | Phosphoinositide phosphatase SAC1, Vacuolar protein sorting-associated protein 74 | Authors: | Cai, Y, Horenkamp, F.A, Reinisch, K.R. | Deposit date: | 2014-06-23 | Release date: | 2014-08-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.187 Å) | Cite: | Sac1-Vps74 structure reveals a mechanism to terminate phosphoinositide signaling in the Golgi apparatus. J.Cell Biol., 206, 2014
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6GUF
| CDK2/CyclinA in complex with CGP74514A | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GRJ
| Structure of the AhlB pore of the tripartite alpha-pore forming toxin, AHL, from Aeromonas hydrophila. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AhlB, CHLORIDE ION, ... | Authors: | Churchill-Angus, A.M, Wilson, J.S, Baker, P.J. | Deposit date: | 2018-06-11 | Release date: | 2019-07-03 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Identification and structural analysis of the tripartite alpha-pore forming toxin of Aeromonas hydrophila. Nat Commun, 10, 2019
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5FI9
| Closed form of murine Acid Sphingomyelinase in complex with bisphosphonate inhibitor AbPA | Descriptor: | (1-azanyl-1-phosphono-decyl)phosphonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | Deposit date: | 2015-12-22 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.543 Å) | Cite: | Crystal structure of mammalian acid sphingomyelinase. Nat Commun, 7, 2016
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7UWZ
| NMR solution structure of the De novo designed small beta-barrel protein 33_bp_sh3 | Descriptor: | De novo designed small beta-barrel protein 33_bp_sh3 | Authors: | Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D. | Deposit date: | 2022-05-04 | Release date: | 2023-03-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of small beta barrel proteins. Proc.Natl.Acad.Sci.USA, 120, 2023
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8AZK
| Bovine 20S proteasome, untreated | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Szenkier, N, Arie, M, Matzov, D, Sertchook, R, Carmeli, R, Cascio, P, Stanhill, A, Shalev Benami, M, Navon, A. | Deposit date: | 2022-09-06 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Bovine 20S proteasome, untreated To be published
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5FQ6
| Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron | Descriptor: | 3-decanoyloxypropyl decanoate, BT_2261, CALCIUM ION, ... | Authors: | Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B. | Deposit date: | 2015-12-07 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for nutrient acquisition by dominant members of the human gut microbiota. Nature, 541, 2017
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8E7T
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5I6H
| Crystal structure of CD-CT domains of Chaetomium thermophilum acetyl-CoA carboxylase | Descriptor: | Acetyl-CoA carboxylase-like protein | Authors: | Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T. | Deposit date: | 2016-02-16 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (7.2 Å) | Cite: | The dynamic organization of fungal acetyl-CoA carboxylase. Nat Commun, 7, 2016
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6H03
| OPEN CONFORMATION OF THE MEMBRANE ATTACK COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ... | Authors: | Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D. | Deposit date: | 2018-07-06 | Release date: | 2018-12-19 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers. Nat Commun, 9, 2018
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6H0B
| Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ... | Authors: | de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R. | Deposit date: | 2018-07-08 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4. ACS Cent Sci, 4, 2018
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