5L8W
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![BU of 5l8w by Molmil](/molmil-images/mine/5l8w) | Structure of USP12-UB-PRG/UAF1 | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 12, ... | Authors: | Dharadhar, S, Sixma, T. | Deposit date: | 2016-06-08 | Release date: | 2016-09-28 | Last modified: | 2016-11-30 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | A conserved two-step binding for the UAF1 regulator to the USP12 deubiquitinating enzyme. J.Struct.Biol., 196, 2016
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7C4S
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![BU of 7c4s by Molmil](/molmil-images/mine/7c4s) | Sphingosine-1-phosphate receptor 3 with a natural ligand. | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ... | Authors: | Iwata, S, Maeda, S, Luo, F, Nango, E, hirata, K, Asada, H. | Deposit date: | 2020-05-18 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Endogenous agonist-bound S1PR3 structure reveals determinants of G protein-subtype bias. Sci Adv, 7, 2021
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4X6C
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![BU of 4x6c by Molmil](/molmil-images/mine/4x6c) | CD1a ternary complex with lysophosphatidylcholine and BK6 TCR | Descriptor: | (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-12-08 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands. Nat.Immunol., 16, 2015
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4WZC
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![BU of 4wzc by Molmil](/molmil-images/mine/4wzc) | |
5ECO
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![BU of 5eco by Molmil](/molmil-images/mine/5eco) | Crystal Structure of FIN219-FIP1 complex with JA, Leu and Mg | Descriptor: | GLUTATHIONE, Glutathione S-transferase U20, Jasmonic acid-amido synthetase JAR1, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7CJK
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![BU of 7cjk by Molmil](/molmil-images/mine/7cjk) | Complex structure of AtHPPD with inhibitor Y18093 | Descriptor: | 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2020-07-11 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Complex structure of AtHPPD with inhibitor Y18093 To Be Published
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5ECH
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![BU of 5ech by Molmil](/molmil-images/mine/5ech) | Crystal Structure of FIN219-FIP1 complex with JA and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ECK
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![BU of 5eck by Molmil](/molmil-images/mine/5eck) | Crystal Structure of FIN219-FIP1 complex with JA, Ile and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ECL
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![BU of 5ecl by Molmil](/molmil-images/mine/5ecl) | Crystal Structure of FIN219-FIP1 complex with JA, Ile and Mg | Descriptor: | GLUTATHIONE, Glutathione S-transferase U20, ISOLEUCINE, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5KV9
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![BU of 5kv9 by Molmil](/molmil-images/mine/5kv9) | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | Descriptor: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | Deposit date: | 2016-07-13 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design. Sci Rep, 7, 2017
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5E41
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![BU of 5e41 by Molmil](/molmil-images/mine/5e41) | Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 5-(N-(10-hydroxydecanoyl)-aminopentenyl)-2'-deoxyuridine-triphosphate | Descriptor: | 2'-deoxy-5-{(1E)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate), DNA (5'-D(*AP*AP*AP*AP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Hottin, A, Betz, K, Marx, A. | Deposit date: | 2015-10-05 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for the KlenTaq DNA Polymerase Catalysed Incorporation of Alkene- versus Alkyne-Modified Nucleotides. Chemistry, 23, 2017
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7B2P
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![BU of 7b2p by Molmil](/molmil-images/mine/7b2p) | Cryo-EM structure of complement C4b in complex with nanobody B5 | 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 C4 alpha chain, ... | Authors: | Oosterheert, W, De la O Becerra, K.I, Gros, P. | Deposit date: | 2020-11-27 | Release date: | 2022-03-02 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Multifaceted Activities of Seven Nanobodies against Complement C4b. J Immunol., 208, 2022
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7B2Q
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![BU of 7b2q by Molmil](/molmil-images/mine/7b2q) | Cryo-EM structure of complement C4b in complex with nanobody B12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-C4b nanobody B12, ... | Authors: | Oosterheert, W, De la O Becerra, K.I, Gros, P. | Deposit date: | 2020-11-27 | Release date: | 2022-03-02 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Multifaceted Activities of Seven Nanobodies against Complement C4b. J Immunol., 208, 2022
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7B2M
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![BU of 7b2m by Molmil](/molmil-images/mine/7b2m) | Cryo-EM structure of complement C4b in complex with nanobody E3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-C4b nanobody E3, Complement C4 alpha chain, ... | Authors: | Oosterheert, W, De la O Becerra, K.I, van den Bos, R.M, Gros, P. | Deposit date: | 2020-11-27 | Release date: | 2022-03-02 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Multifaceted Activities of Seven Nanobodies against Complement C4b. J Immunol., 208, 2022
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5KSI
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![BU of 5ksi by Molmil](/molmil-images/mine/5ksi) | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | Descriptor: | (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ... | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | Deposit date: | 2016-07-08 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep, 7, 2017
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5KWY
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![BU of 5kwy by Molmil](/molmil-images/mine/5kwy) | Structure of human NPC1 middle lumenal domain bound to NPC2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Epididymal secretory protein E1, ... | Authors: | Li, X. | Deposit date: | 2016-07-19 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Clues to the mechanism of cholesterol transfer from the structure of NPC1 middle lumenal domain bound to NPC2. Proc.Natl.Acad.Sci.USA, 113, 2016
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4XLY
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![BU of 4xly by Molmil](/molmil-images/mine/4xly) | The complex structure of KS-D75C with substrate CPP | Descriptor: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150 | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | Deposit date: | 2015-01-14 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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5LNU
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![BU of 5lnu by Molmil](/molmil-images/mine/5lnu) | Crystal structure of Arabidopsis thaliana Pdx1-I320 complex | Descriptor: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5F2E
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![BU of 5f2e by Molmil](/molmil-images/mine/5f2e) | Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | Descriptor: | 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... | Authors: | Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. | Deposit date: | 2015-12-01 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State. Cancer Discov, 6, 2016
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7D5O
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![BU of 7d5o by Molmil](/molmil-images/mine/7d5o) | C-Src in complex with TAS-120 | Descriptor: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2020-09-27 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors Commun Chem, 5, 2022
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5ESU
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![BU of 5esu by Molmil](/molmil-images/mine/5esu) | Crystal Structure of M. tuberculosis MenD bound to Mg2+ and Covalent Intermediate II (a ThDP + de-carboxylated 2-oxoglutarate + Isochorismate adduct) | Descriptor: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, BETA-MERCAPTOETHANOL, ... | Authors: | Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. | Deposit date: | 2015-11-17 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms. Structure, 24, 2016
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5LCJ
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![BU of 5lcj by Molmil](/molmil-images/mine/5lcj) | In-Gel Activity-Based Protein Profiling of a Clickable Covalent Erk 1/2 Inhibitor | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate | Authors: | O'Reilly, M, Wright, D. | Deposit date: | 2016-06-22 | Release date: | 2016-07-20 | Last modified: | 2016-08-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor. Mol Biosyst, 12, 2016
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5ECI
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![BU of 5eci by Molmil](/molmil-images/mine/5eci) | Crystal Structure of FIN219-FIP1 complex with JA, ATP and Mg | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7B04
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![BU of 7b04 by Molmil](/molmil-images/mine/7b04) | Structure of Nitrite oxidoreductase (Nxr) from the anammox bacterium Kuenenia stuttgartiensis. | Descriptor: | CALCIUM ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Moreno-Chicano, T, Dietl, A, Akram, M, Barends, T.R.M. | Deposit date: | 2020-11-18 | Release date: | 2021-07-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural and functional characterization of the intracellular filament-forming nitrite oxidoreductase multiprotein complex Nat Microbiol, 2021
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7B39
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![BU of 7b39 by Molmil](/molmil-images/mine/7b39) | Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist | Descriptor: | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | Authors: | Rochel, N. | Deposit date: | 2020-11-29 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Design, Synthesis, Evaluation and Structure of Allenic 1 alpha ,25-Dihydroxyvitamin D 3 Analogs with Locked Mobility at C-17. Chemistry, 27, 2021
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