7YRB
 
 | | UBR box of human UBR6 | | Descriptor: | F-box protein 11, isoform CRA_f, SULFATE ION, ... | | Authors: | Kim, B, Song, H.K. | | Deposit date: | 2022-08-09 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal structure of UBR box from human UBR6
To Be Published
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7JY2
 | | Z-DNA joint X-ray/Neutron | | Descriptor: | Chains: A,B | | Authors: | Harp, J.M, Coates, L, Egli, M. | | Deposit date: | 2020-08-28 | | Release date: | 2021-04-28 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | | Cite: | Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
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5KQQ
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1B2W
 | | COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF A HUMANIZED AND A CHIMERIC FAB OF AN ANTI-GAMMA-INTERFERON ANTIBODY | | Descriptor: | PROTEIN (ANTIBODY (HEAVY CHAIN)), PROTEIN (ANTIBODY (LIGHT CHAIN)) | | Authors: | Fan, Z, Shan, L, Goldsteen, B.Z, Guddat, L.W, Thakur, A, Landolfi, N.F, Co, M.S, Vasquez, M, Queen, C, Ramsland, P.A, Edmundson, A.B. | | Deposit date: | 1998-12-01 | | Release date: | 1999-05-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-gamma-interferon antibody.
J.Mol.Recog., 12, 1999
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7KE5
 | | Heavy chain ferritin with N-terminal EBNA1 epitope | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Epstein-Barr nuclear antigen 1,Ferritin heavy chain, FE (III) ION | | Authors: | Pederick, J.P, Bruning, J.B. | | Deposit date: | 2020-10-10 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope.
Vaccine, 39, 2021
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7KE3
 | | Heavy chain ferritin with C-terminal EBNA1 epitope | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Ferritin heavy chain,Epstein-Barr nuclear antigen 1 | | Authors: | Pederick, J.L, Bruning, J.B. | | Deposit date: | 2020-10-10 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope.
Vaccine, 39, 2021
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1B4J
 | | COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF A HUMANIZED AND A CHIMERIC FAB OF AN ANTI-GAMMA-INTERFERON ANTIBODY | | Descriptor: | ANTIBODY | | Authors: | Fan, Z, Shan, L, Goldsteen, B.Z, Guddat, L.W, Thakur, A, Landolfi, N.F, Co, M.S, Vasques, M, Queen, C, Ramsland, P.A, Edmundson, A.B. | | Deposit date: | 1998-12-22 | | Release date: | 1999-06-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-gamma-interferon antibody.
J.Mol.Recog., 12, 1999
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5DZB
 | | 6beta1 | | Descriptor: | 6beta1 | | Authors: | Kabasakal, B.V, MacDonald, J.T, Murray, W.W. | | Deposit date: | 2015-09-25 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6TZG
 | | ADC-7 in complex with boronic acid transition state inhibitor S17083 | | Descriptor: | Beta-lactamase, [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid | | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | | Deposit date: | 2019-08-12 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.816 Å) | | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
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6LPY
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8A0K
 | | crystal structure of the kinetoplastid kinetochore protein Trypanosoma brucei KKT3 Divergent Polo-Box domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein kinase, putative | | Authors: | Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O.O, Akiyoshi, B. | | Deposit date: | 2022-05-27 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
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5A7S
 | | Crystal structure of human JMJD2A in complex with compound 44 | | Descriptor: | 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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4PH6
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6EGZ
 | | Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene | | Descriptor: | Cytochrome c iso-1, HEME C, SODIUM ION, ... | | Authors: | Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2017-09-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof.
Bioconjug.Chem., 29, 2018
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8F1A
 | | Apo KIF20A[1-565] class-1 in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
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4PL8
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8SQG
 | | OXA-48 bound to inhibitor CDD-2801 | | Descriptor: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | | Deposit date: | 2023-05-04 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
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8F18
 | | Apo KIF20A[1-565] class-2 in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
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8F5Q
 | | Crystal structure of human PCNA in complex with the PIP box of FBH1 | | Descriptor: | F-box DNA helicase 1, Proliferating cell nuclear antigen | | Authors: | Liu, J, Chaves-Arquero, B, Wei, P, Tencer, H, Zhang, G, Blanco, F, Kutateladze, T. | | Deposit date: | 2022-11-15 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular insight into the PCNA-binding mode of FBH1.
Structure, 31, 2023
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6J1Q
 | | Crystal structure of Candida Antarctica Lipase B mutant - RS | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | | Deposit date: | 2018-12-29 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
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6RPA
 | | Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | | Deposit date: | 2019-05-14 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
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8EM5
 | | Mycobacterium thermoresistible MmpS5 | | Descriptor: | DODECAETHYLENE GLYCOL, GLYCEROL, IODIDE ION, ... | | Authors: | Cuthbert, B.J, Goulding, C.W. | | Deposit date: | 2022-09-26 | | Release date: | 2023-09-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The structure of Mycobacterium thermoresistibile MmpS5 reveals a conserved disulfide bond across mycobacteria.
Metallomics, 16, 2024
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5DTK
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | | Descriptor: | 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | Deposit date: | 2015-09-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.60000241 Å) | | Cite: | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
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1B09
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5DXU
 | | p110delta/p85alpha with GDC-0326 | | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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