1A0A
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![BU of 1a0a by Molmil](/molmil-images/mine/1a0a) | PHOSPHATE SYSTEM POSITIVE REGULATORY PROTEIN PHO4/DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*TP*AP*GP*TP*CP*CP*CP*AP*CP*GP*TP*GP*TP*GP*AP*G )-3'), DNA (5'-D(*CP*TP*CP*AP*CP*AP*CP*GP*TP*GP*GP*GP*AP*CP*TP*AP*G )-3'), PROTEIN (PHOSPHATE SYSTEM POSITIVE REGULATORY PROTEIN PHO4) | Authors: | Shimizu, T, Toumoto, A, Ihara, K, Shimizu, M, Kyogoku, Y, Ogawa, N, Oshima, Y, Hakoshima, T. | Deposit date: | 1997-11-27 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of PHO4 bHLH domain-DNA complex: flanking base recognition. EMBO J., 16, 1997
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5FNT
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![BU of 5fnt by Molmil](/molmil-images/mine/5fnt) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FZJ
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![BU of 5fzj by Molmil](/molmil-images/mine/5fzj) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2016-03-14 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5M4B
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![BU of 5m4b by Molmil](/molmil-images/mine/5m4b) | Alpha-amino epsilon-caprolactam racemase D210A mutant in complex with PLP and geminal diamine intermediate | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase class-III, [6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-10-18 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography Acs Catalysis, 7, 2017
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5M49
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![BU of 5m49 by Molmil](/molmil-images/mine/5m49) | Alpha-amino epsilon-caprolactam racemase in complex with PLP and D/L alpha amino epsilon-caprolactam (internal aldimine) | Descriptor: | (3~{R})-3-azanylazepan-2-one, (3~{S})-3-azanylazepan-2-one, Aminotransferase class-III, ... | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-10-18 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography Acs Catalysis, 7, 2017
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6FM2
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![BU of 6fm2 by Molmil](/molmil-images/mine/6fm2) | CARP domain of mouse cyclase-associated protein 1 (CAP1) bound to ADP-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kotila, T.M, Kogan, K, Lappalainen, P. | Deposit date: | 2018-01-30 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of actin monomer re-charging by cyclase-associated protein. Nat Commun, 9, 2018
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1CRY
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![BU of 1cry by Molmil](/molmil-images/mine/1cry) | |
5H08
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![BU of 5h08 by Molmil](/molmil-images/mine/5h08) | Human PTPRZ D1 domain complexed with NAZ2329 | Descriptor: | 3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2016-10-04 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells Sci Rep, 7, 2017
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6H5N
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![BU of 6h5n by Molmil](/molmil-images/mine/6h5n) | |
5IM3
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![BU of 5im3 by Molmil](/molmil-images/mine/5im3) | |
5IR4
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![BU of 5ir4 by Molmil](/molmil-images/mine/5ir4) | Crystal structure of wild-type bacterial lipoxygenase from Pseudomonas aeruginosa PA-LOX with space group C2221 at 1.48 A resolution | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, Arachidonate 15-lipoxygenase, CHLORIDE ION, ... | Authors: | Kalms, J, Banthiya, S, Galemou Yoga, E, Kuhn, H, Scheerer, P. | Deposit date: | 2016-03-12 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural and functional basis of phospholipid oxygenase activity of bacterial lipoxygenase from Pseudomonas aeruginosa. Biochim.Biophys.Acta, 1861, 2016
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5K59
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![BU of 5k59 by Molmil](/molmil-images/mine/5k59) | Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody | Descriptor: | CHLORIDE ION, Fab heavy chain, Fab light chain, ... | Authors: | Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E. | Deposit date: | 2016-05-23 | Release date: | 2016-08-10 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies. Mabs, 8, 2016
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5KCI
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![BU of 5kci by Molmil](/molmil-images/mine/5kci) | Crystal Structure of HTC1 | Descriptor: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | Authors: | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | Deposit date: | 2016-06-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | Determining crystal structures through crowdsourcing and coursework. Nat Commun, 7, 2016
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6G71
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![BU of 6g71 by Molmil](/molmil-images/mine/6g71) | Structure of CYP1232A24 from Arthrobacter sp. | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ... | Authors: | Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G. | Deposit date: | 2018-04-04 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine. J.Biochem., 166, 2019
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4OW3
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![BU of 4ow3 by Molmil](/molmil-images/mine/4ow3) | Thermolysin structure determined by free-electron laser | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | Authors: | Hattne, J, Echols, N, Tran, R, Kern, J, Gildea, R.J, Brewster, A.S, Alonso-Mori, R, Glockner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, White, W.E, Schafer, D.W, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Glatzel, P, Zwart, P.H, Grosse-Kunstleve, R.W, Bogan, M.J, Messerschmidt, M, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Yano, J, Bergmann, U, Yachandra, V.K, Adams, P.D, Sauter, N.K. | Deposit date: | 2014-01-30 | Release date: | 2014-03-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers. Nat.Methods, 11, 2014
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5M46
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![BU of 5m46 by Molmil](/molmil-images/mine/5m46) | Alpha-amino epsilon-caprolactam racemase (ACLR) from Rhizobacterium freirei | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase class-III, PYRIDOXAL-5'-PHOSPHATE | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-10-18 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography Acs Catalysis, 7, 2017
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1D4F
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![BU of 1d4f by Molmil](/molmil-images/mine/1d4f) | CRYSTAL STRUCTURE OF RECOMBINANT RAT-LIVER D244E MUTANT S-ADENOSYLHOMOCYSTEINE HYDROLASE | Descriptor: | ADENOSINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE HYDROLASE | Authors: | Komoto, J, Huang, Y, Takusagawa, F, Gomi, T, Ogawa, H, Takata, Y, Fujioka, M. | Deposit date: | 2000-06-22 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Effects of site-directed mutagenesis on structure and function of recombinant rat liver S-adenosylhomocysteine hydrolase. Crystal structure of D244E mutant enzyme. J.Biol.Chem., 275, 2000
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5M4D
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![BU of 5m4d by Molmil](/molmil-images/mine/5m4d) | Alpha-amino epsilon-caprolactam racemase K241A mutant in complex with D-ACL (external aldimine) | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase class-III, [6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-10-18 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography Acs Catalysis, 7, 2017
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5IVW
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![BU of 5ivw by Molmil](/molmil-images/mine/5ivw) | Human core TFIIH bound to DNA within the PIC | Descriptor: | General transcription factor IIH subunit 2, General transcription factor IIH subunit 3, General transcription factor IIH subunit 4, ... | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | Deposit date: | 2016-03-21 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Near-atomic resolution visualization of human transcription promoter opening. Nature, 533, 2016
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5IY7
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![BU of 5iy7 by Molmil](/molmil-images/mine/5iy7) | Human holo-PIC in the open state | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ... | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | Deposit date: | 2016-03-24 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (8.6 Å) | Cite: | Near-atomic resolution visualization of human transcription promoter opening. Nature, 533, 2016
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5FNS
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![BU of 5fns by Molmil](/molmil-images/mine/5fns) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5IYD
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![BU of 5iyd by Molmil](/molmil-images/mine/5iyd) | Human core-PIC in the initial transcribing state (no IIS) | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ... | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | Deposit date: | 2016-03-24 | Release date: | 2016-05-18 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Near-atomic resolution visualization of human transcription promoter opening. Nature, 533, 2016
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6G0C
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![BU of 6g0c by Molmil](/molmil-images/mine/6g0c) | Crystal structure of SdeA catalytic core | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitinating/deubiquitinating enzyme SdeA | Authors: | Kalayil, S, Bhogaraju, S, Basquin, J, Dikic, I. | Deposit date: | 2018-03-17 | Release date: | 2018-05-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Insights into catalysis and function of phosphoribosyl-linked serine ubiquitination. Nature, 557, 2018
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1A02
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![BU of 1a02 by Molmil](/molmil-images/mine/1a02) | STRUCTURE OF THE DNA BINDING DOMAINS OF NFAT, FOS AND JUN BOUND TO DNA | Descriptor: | AP-1 FRAGMENT FOS, AP-1 FRAGMENT JUN, DNA (5'-D(*DAP*DAP*DCP*DTP*DAP*DTP*DGP*DAP*DAP*DAP*DCP*DAP*DAP*DAP*DTP*DTP*DTP*DTP*DCP*DC)-3'), ... | Authors: | Chen, L, Glover, J.N.M, Hogan, P.G, Rao, A, Harrison, S.C. | Deposit date: | 1997-12-08 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the DNA-binding domains from NFAT, Fos and Jun bound specifically to DNA. Nature, 392, 1998
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7TPS
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![BU of 7tps by Molmil](/molmil-images/mine/7tps) | Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]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: | Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B. | Deposit date: | 2022-01-26 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity. Nat Commun, 13, 2022
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