1BX2
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![BU of 1bx2 by Molmil](/molmil-images/mine/1bx2) | CRYSTAL STRUCTURE OF HLA-DR2 (DRA*0101,DRB1*1501) COMPLEXED WITH A PEPTIDE FROM HUMAN MYELIN BASIC PROTEIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (HLA-DR2) | Authors: | Smith, K.J, Pyrdol, J, Gauthier, L, Wiley, D.C, Wucherpfennig, K. | Deposit date: | 1998-10-12 | Release date: | 1998-10-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of HLA-DR2 (DRA*0101, DRB1*1501) complexed with a peptide from human myelin basic protein. J.Exp.Med., 188, 1998
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7XA7
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![BU of 7xa7 by Molmil](/molmil-images/mine/7xa7) | Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | Authors: | Tang, L.F, Zhang, D, Han, P, Qi, J.X. | Deposit date: | 2022-03-17 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2. Int J Biol Sci, 18, 2022
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6N3O
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![BU of 6n3o by Molmil](/molmil-images/mine/6n3o) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | Descriptor: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2 | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | Deposit date: | 2018-11-15 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
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8QYP
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![BU of 8qyp by Molmil](/molmil-images/mine/8qyp) | Beta-cardiac myosin motor domain in the pre-powerstroke state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.759 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8QYU
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![BU of 8qyu by Molmil](/molmil-images/mine/8qyu) | Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8DGJ
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![BU of 8dgj by Molmil](/molmil-images/mine/8dgj) | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex Ib | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | Deposit date: | 2022-06-23 | Release date: | 2022-11-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.02 Å) | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB. Mol.Cell, 82, 2022
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5FAS
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![BU of 5fas by Molmil](/molmil-images/mine/5fas) | OXA-48 in complex with FPI-1523 | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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7ZK6
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![BU of 7zk6 by Molmil](/molmil-images/mine/7zk6) | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7AEA
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![BU of 7aea by Molmil](/molmil-images/mine/7aea) | Cryo-EM structure of human RNA Polymerase III elongation complex 2 | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | Authors: | Girbig, M, Misiaszek, A.D, Vorlaender, M.K, Mueller, C.W. | Deposit date: | 2020-09-17 | Release date: | 2021-02-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures of human RNA polymerase III in its unbound and transcribing states. Nat.Struct.Mol.Biol., 28, 2021
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7F6G
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![BU of 7f6g by Molmil](/molmil-images/mine/7f6g) | Cryo-EM structure of human angiotensin receptor AT1R in complex Gq proteins and Sar1-AngII | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin receptor AT1R, CHOLESTEROL, ... | Authors: | Zhang, D, Xu, L, Zhan, Y, Guo, J, Zhang, H. | Deposit date: | 2021-06-25 | Release date: | 2023-03-29 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into angiotensin receptor signaling modulation by balanced and biased agonists. Embo J., 42, 2023
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6ZKL
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![BU of 6zkl by Molmil](/molmil-images/mine/6zkl) | Complex I inhibited by rotenone, open1 | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | Authors: | Kampjut, D, Sazanov, L.A. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The coupling mechanism of mammalian respiratory complex I. Science, 370, 2020
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8DGI
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![BU of 8dgi by Molmil](/molmil-images/mine/8dgi) | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex Ia | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | Deposit date: | 2022-06-23 | Release date: | 2022-11-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB. Mol.Cell, 82, 2022
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8UD7
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![BU of 8ud7 by Molmil](/molmil-images/mine/8ud7) | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | Deposit date: | 2023-09-28 | Release date: | 2024-02-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance. Science, 383, 2024
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4Y9P
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![BU of 4y9p by Molmil](/molmil-images/mine/4y9p) | PA3825-EAL Ca-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL | Authors: | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site To Be Published
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7ZK5
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![BU of 7zk5 by Molmil](/molmil-images/mine/7zk5) | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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5NHI
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![BU of 5nhi by Molmil](/molmil-images/mine/5nhi) | |
7ZJS
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![BU of 7zjs by Molmil](/molmil-images/mine/7zjs) | |
8UD8
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![BU of 8ud8 by Molmil](/molmil-images/mine/8ud8) | Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | Deposit date: | 2023-09-28 | Release date: | 2024-02-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance. Science, 383, 2024
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8QYR
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![BU of 8qyr by Molmil](/molmil-images/mine/8qyr) | Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten | Descriptor: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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5FQ7
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![BU of 5fq7 by Molmil](/molmil-images/mine/5fq7) | Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron | Descriptor: | BT_2261, BT_2262, BT_2263, ... | 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 (3.4 Å) | Cite: | Structural basis for nutrient acquisition by dominant members of the human gut microbiota. Nature, 541, 2017
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6Q3Z
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![BU of 6q3z by Molmil](/molmil-images/mine/6q3z) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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6TBB
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![BU of 6tbb by Molmil](/molmil-images/mine/6tbb) | Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin A (batumin) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH], Kalimantacin, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Fage, C.D, Masschelein, J. | Deposit date: | 2019-11-01 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI. Angew.Chem.Int.Ed.Engl., 59, 2020
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7OSB
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![BU of 7osb by Molmil](/molmil-images/mine/7osb) | Crystal Structure of a Double Mutant PETase (S238F/W159H) from Ideonella sakaiensis | Descriptor: | CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase, ... | Authors: | Shakespeare, T.J, Zahn, M, Allen, M.D, McGeehan, J.E. | Deposit date: | 2021-06-08 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Comparative Performance of PETase as a Function of Reaction Conditions, Substrate Properties, and Product Accumulation. ChemSusChem, 15, 2022
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7ZK4
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![BU of 7zk4 by Molmil](/molmil-images/mine/7zk4) | The ABCB1 L335C mutant (mABCB1) in the outward facing state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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8QB3
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![BU of 8qb3 by Molmil](/molmil-images/mine/8qb3) | ADDobody zinc containing condition | Descriptor: | ADDobody, ZINC ION | Authors: | Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C. | Deposit date: | 2023-08-24 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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