3FFE
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![BU of 3ffe by Molmil](/molmil-images/mine/3ffe) | Structure of Achromobactin Synthetase Protein D, (AcsD) | Descriptor: | AcsD | Authors: | McMahon, S.A, Liu, H, Carter, L, Oke, M, Johnson, K.A, Schmelz, S, Challis, G.L, White, M.F, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF) | Deposit date: | 2008-12-03 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis Nat.Chem.Biol., 5, 2009
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8K36
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3ZFV
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![BU of 3zfv by Molmil](/molmil-images/mine/3zfv) | Crystal structure of an archaeal CRISPR-associated Cas6 nuclease | Descriptor: | CRISPR-ASSOCIATED ENDORIBONUCLEASE CAS6 1, GLYCEROL | Authors: | Reeks, J, Liu, H, White, M.F, Naismith, J.H. | Deposit date: | 2012-12-12 | Release date: | 2013-04-03 | Last modified: | 2013-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a Dimeric Crenarchaeal Cas6 Enzyme with an Atypical Active Site for Crispr RNA Processing Biochem.J., 452, 2013
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3B3Q
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![BU of 3b3q by Molmil](/molmil-images/mine/3b3q) | Crystal structure of a synaptic adhesion complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Chen, X, Liu, H, Shim, A, Focia, P, He, X. | Deposit date: | 2007-10-22 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for synaptic adhesion mediated by neuroligin-neurexin interactions. Nat.Struct.Mol.Biol., 15, 2008
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8FT5
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![BU of 8ft5 by Molmil](/molmil-images/mine/8ft5) | Crystal structure of LeuT soaked with Crown-5 | Descriptor: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | Authors: | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | Deposit date: | 2023-01-11 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter To be Published
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4AVF
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![BU of 4avf by Molmil](/molmil-images/mine/4avf) | Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Naismith, J.H. | Deposit date: | 2012-05-25 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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4AY9
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![BU of 4ay9 by Molmil](/molmil-images/mine/4ay9) | Structure of follicle-stimulating hormone in complex with the entire ectodomain of its receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLLICLE-STIMULATING HORMONE RECEPTOR, FOLLITROPIN SUBUNIT BETA, ... | Authors: | Jiang, X, Liu, H, Chen, X, He, X. | Deposit date: | 2012-06-19 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Follicle-Stimulating Hormone in Complex with the Entire Ectodomain of its Receptor. Proc.Natl.Acad.Sci.USA, 109, 2012
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2ALF
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![BU of 2alf by Molmil](/molmil-images/mine/2alf) | crystal structure of human CypA mutant K131A | Descriptor: | MAGNESIUM ION, Peptidyl-prolyl cis-trans isomerase A | Authors: | Hu, H, Huang, C.-Q, Liu, H.-L, Han, Y, Chen, M.-E, Yu, L, Bi, R.-C. | Deposit date: | 2005-08-05 | Release date: | 2005-08-23 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nuclease activity of Cyclophilin A and its structural basis TO BE PUBLISHED
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3EJJ
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![BU of 3ejj by Molmil](/molmil-images/mine/3ejj) | Structure of M-CSF bound to the first three domains of FMS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Colony stimulating factor-1, Macrophage colony-stimulating factor 1 receptor | Authors: | Chen, X, Liu, H, Focia, P.J, Shim, A, He, X. | Deposit date: | 2008-09-18 | Release date: | 2008-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of macrophage colony stimulating factor bound to FMS: diverse signaling assemblies of class III receptor tyrosine kinases. Proc.Natl.Acad.Sci.USA, 105, 2008
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7TIU
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![BU of 7tiu by Molmil](/molmil-images/mine/7tiu) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIV
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![BU of 7tiv by Molmil](/molmil-images/mine/7tiv) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIZ
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![BU of 7tiz by Molmil](/molmil-images/mine/7tiz) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIY
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![BU of 7tiy by Molmil](/molmil-images/mine/7tiy) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIW
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![BU of 7tiw by Molmil](/molmil-images/mine/7tiw) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54 | Descriptor: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIA
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![BU of 7tia by Molmil](/molmil-images/mine/7tia) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | Descriptor: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIX
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![BU of 7tix by Molmil](/molmil-images/mine/7tix) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TJ0
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![BU of 7tj0 by Molmil](/molmil-images/mine/7tj0) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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4AVR
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![BU of 4avr by Molmil](/molmil-images/mine/4avr) | Crystal structure of the hypothetical protein Pa4485 from Pseudomonas aeruginosa | Descriptor: | PA4485 | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Alphey, M.S, Naismith, J.H. | Deposit date: | 2012-05-29 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery. Acta Crystallogr.,Sect.F, 69, 2013
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4AVY
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![BU of 4avy by Molmil](/molmil-images/mine/4avy) | The AEROPATH project and Pseudomonas aeruginosa high-throughput crystallographic studies for assessment of potential targets in early stage drug discovery. | Descriptor: | PROBABLE SHORT-CHAIN DEHYDROGENASE | Authors: | Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H. | Deposit date: | 2012-05-30 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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4B79
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![BU of 4b79 by Molmil](/molmil-images/mine/4b79) | THE AEROPATH PROJECT AND PSEUDOMONAS AERUGINOSA HIGH-THROUGHPUT CRYSTALLOGRAPHIC STUDIES FOR ASSESSMENT OF POTENTIAL TARGETS IN EARLY STAGE DRUG DISCOVERY. | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROBABLE SHORT-CHAIN DEHYDROGENASE | Authors: | Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H. | Deposit date: | 2012-08-16 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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2HK8
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![BU of 2hk8 by Molmil](/molmil-images/mine/2hk8) | Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution | Descriptor: | Shikimate dehydrogenase | Authors: | Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X. | Deposit date: | 2006-07-03 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism. Biochemistry, 46, 2007
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4X4J
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![BU of 4x4j by Molmil](/molmil-images/mine/4x4j) | Structural and Functional Studies of BexE: Insights into Oxidation During BE-7585A Biosynthesis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative oxygenase, SULFATE ION | Authors: | Tsai, S.-C, Jackson, D.R, Patel, A, Barajas, J.F, Rohr, J, Yu, X, Liu, H.-W, Sasaki, E, Calveras, J, Metsa-Ketela, M. | Deposit date: | 2014-12-02 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural and Functional Studies of BexE: Insights into Oxidation During BE-7585A Biosynthesis To Be Published
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3NVQ
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![BU of 3nvq by Molmil](/molmil-images/mine/3nvq) | Molecular mechanism of guidance cue recognition | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-C1, ... | Authors: | Juo, Z, Liu, H, Shim, A, Focia, P, Chen, X, Garcia, C, He, X. | Deposit date: | 2010-07-08 | Release date: | 2010-09-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Semaphorin-Plexin Recognition and Viral Mimicry from Sema7A and A39R Complexes with PlexinC1. Cell(Cambridge,Mass.), 142, 2010
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8GZJ
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![BU of 8gzj by Molmil](/molmil-images/mine/8gzj) | |
8GZL
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![BU of 8gzl by Molmil](/molmil-images/mine/8gzl) | |