8WJ0
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![BU of 8wj0 by Molmil](/molmil-images/mine/8wj0) | cryo-EM structure of human haemoglobin in carbonmonoxy form | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | Deposit date: | 2023-09-25 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.24 Å) | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM. Nat Commun, 15, 2024
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8S99
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![BU of 8s99 by Molmil](/molmil-images/mine/8s99) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8STH
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![BU of 8sth by Molmil](/molmil-images/mine/8sth) | human STING with diABZI agonist 15 | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein | Authors: | Duvall, J.R, Bukhalid, R.A. | Deposit date: | 2023-05-10 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. J.Med.Chem., 66, 2023
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6S5X
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![BU of 6s5x by Molmil](/molmil-images/mine/6s5x) | Structure of RibR, the most N-terminal Rib domain from Group B Streptococcus species Streptococcus agalactiae | Descriptor: | Group B streptococcal R4 surface protein, SODIUM ION | Authors: | Whelan, F, Turkenburg, J.P, Griffiths, S.C, Bateman, A, Potts, J.R. | Deposit date: | 2019-07-02 | Release date: | 2019-12-11 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection. Proc.Natl.Acad.Sci.USA, 116, 2019
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8SA2
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![BU of 8sa2 by Molmil](/molmil-images/mine/8sa2) | Adenosylcobalamin-bound riboswitch dimer, form 1 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 1 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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8SA4
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![BU of 8sa4 by Molmil](/molmil-images/mine/8sa4) | Adenosylcobalamin-bound riboswitch dimer, form 3 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 3 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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6ZSP
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![BU of 6zsp by Molmil](/molmil-images/mine/6zsp) | Human serine racemase bound to ATP and malonate. | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | Deposit date: | 2020-07-16 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
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6ZUJ
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![BU of 6zuj by Molmil](/molmil-images/mine/6zuj) | Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen). | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | Deposit date: | 2020-07-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
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8SSU
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![BU of 8ssu by Molmil](/molmil-images/mine/8ssu) | ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 19mer DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (19-MER) Strand I, DNA (19-MER) Strand II, ... | Authors: | Horton, J.R, Yang, J, Cheng, X. | Deposit date: | 2023-05-08 | Release date: | 2023-08-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers. Nucleic Acids Res., 51, 2023
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8SST
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![BU of 8sst by Molmil](/molmil-images/mine/8sst) | ZnFs 1-7 of CCCTC-binding factor (CTCF) K365T Mutant Complexed with 23mer | Descriptor: | 1,2-ETHANEDIOL, DNA Strand (23mer) I, DNA Strand (23mer) II, ... | Authors: | Horton, J.R, Yang, J, Cheng, X. | Deposit date: | 2023-05-08 | Release date: | 2023-08-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers. Nucleic Acids Res., 51, 2023
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8S9M
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![BU of 8s9m by Molmil](/molmil-images/mine/8s9m) | DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-03-29 | Release date: | 2023-08-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga. J.Biol.Chem., 299, 2023
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8SA3
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![BU of 8sa3 by Molmil](/molmil-images/mine/8sa3) | Adenosylcobalamin-bound riboswitch dimer, form 2 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 2 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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6XZG
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![BU of 6xzg by Molmil](/molmil-images/mine/6xzg) | Influenza C virus polymerase in complex with chicken ANP32A - Subclass 3 | Descriptor: | Influenza viral RNA (vRNA) promoter 47mer, LRRcap domain-containing protein, Polymerase acidic protein, ... | Authors: | Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E. | Deposit date: | 2020-02-04 | Release date: | 2020-11-25 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase. Nature, 587, 2020
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8S9A
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![BU of 8s9a by Molmil](/molmil-images/mine/8s9a) | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | Descriptor: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8SSS
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![BU of 8sss by Molmil](/molmil-images/mine/8sss) | ZnFs 1-7 of CCCTC-binding factor (CTCF) Complexed with 23mer | Descriptor: | 1,2-ETHANEDIOL, DNA Strand (23mer) I, DNA Strand (23mer) II, ... | Authors: | Horton, J.R, Yang, J, Cheng, X. | Deposit date: | 2023-05-08 | Release date: | 2023-08-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers. Nucleic Acids Res., 51, 2023
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8SA6
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![BU of 8sa6 by Molmil](/molmil-images/mine/8sa6) | apo form of adenosylcobalamin riboswitch dimer | Descriptor: | apo form of adenosylcobalamin riboswitch dimer | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (5.3 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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8SA5
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![BU of 8sa5 by Molmil](/molmil-images/mine/8sa5) | Adenosylcobalamin-bound riboswitch dimer, form 4 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 4 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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7AD6
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![BU of 7ad6 by Molmil](/molmil-images/mine/7ad6) | Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2020-09-14 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
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8SSQ
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![BU of 8ssq by Molmil](/molmil-images/mine/8ssq) | ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-4 | Descriptor: | DNA (35-MER) Strand 2, DNA (35-MER) Strand I, SODIUM ION, ... | Authors: | Horton, J.R, Yang, J, Cheng, X. | Deposit date: | 2023-05-08 | Release date: | 2023-08-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers. Nucleic Acids Res., 51, 2023
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7AD7
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![BU of 7ad7 by Molmil](/molmil-images/mine/7ad7) | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2020-09-14 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
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4OVM
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![BU of 4ovm by Molmil](/molmil-images/mine/4ovm) | Crystal structure of SgcJ protein from Streptomyces carzinostaticus | Descriptor: | uncharacterized protein SgcJ | Authors: | Chang, C, Bigelow, L, Clancy, S, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2013-11-20 | Release date: | 2013-12-25 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (2.719 Å) | Cite: | Crystal structure of SgcJ, an NTF2-like superfamily protein involved in biosynthesis of the nine-membered enediyne antitumor antibiotic C-1027. J.Antibiot., 2016
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8S98
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![BU of 8s98 by Molmil](/molmil-images/mine/8s98) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | Descriptor: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8SSR
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![BU of 8ssr by Molmil](/molmil-images/mine/8ssr) | ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-20 | Descriptor: | DNA (35-MER) Strand I, DNA (35-MER) Strand II, SODIUM ION, ... | Authors: | Horton, J.R, Yang, J, Cheng, X. | Deposit date: | 2023-05-08 | Release date: | 2023-08-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers. Nucleic Acids Res., 51, 2023
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8S9N
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![BU of 8s9n by Molmil](/molmil-images/mine/8s9n) | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-03-29 | Release date: | 2023-08-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga. J.Biol.Chem., 299, 2023
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8STI
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![BU of 8sti by Molmil](/molmil-images/mine/8sti) | human STING with agonist XMT-1616 | Descriptor: | 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein | Authors: | Duvall, J.R, Bukhalid, R.A. | Deposit date: | 2023-05-10 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. J.Med.Chem., 66, 2023
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