5O5R
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![BU of 5o5r by Molmil](/molmil-images/mine/5o5r) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1023 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{R})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2017-06-02 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1023 To Be Published
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5O5T
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![BU of 5o5t by Molmil](/molmil-images/mine/5o5t) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1007 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{S})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Novakova, Z, Motlova, L. | Deposit date: | 2017-06-02 | Release date: | 2018-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1007 To Be Published
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5O5U
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![BU of 5o5u by Molmil](/molmil-images/mine/5o5u) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1027 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Novakova, Z, Barinka, C, Motlova, L. | Deposit date: | 2017-06-02 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1027 To Be Published
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5O8T
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![BU of 5o8t by Molmil](/molmil-images/mine/5o8t) | Crystal structure of wild type Aplysia californica AChBP in complex with strychnine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ... | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | Deposit date: | 2017-06-14 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein. Iucrj, 6, 2019
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5OAR
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![BU of 5oar by Molmil](/molmil-images/mine/5oar) | Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | Authors: | Skerlova, J, Rezacova, P, Brynda, J, Pachl, P, Otwinowski, Z, Vanek, O. | Deposit date: | 2017-06-23 | Release date: | 2017-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae sheds light onto its substrate specificity, high stability, and regulation by propeptide. FEBS J., 285, 2018
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5OCC
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![BU of 5occ by Molmil](/molmil-images/mine/5occ) | |
5OF0
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![BU of 5of0 by Molmil](/molmil-images/mine/5of0) | X-ray structure of human glutamate carboxypeptidase II (GCPII), the E424M inactive mutant, in complex with a inhibitor CFBzOG | Descriptor: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Novakova, Z, Motlova, L, Barinka, C. | Deposit date: | 2017-07-10 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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5OHI
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![BU of 5ohi by Molmil](/molmil-images/mine/5ohi) | Crystal structure of autotaxin in complex with BI-2545 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, CALCIUM ION, ... | Authors: | Hoerer, S. | Deposit date: | 2017-07-17 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, 8, 2017
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5OKL
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![BU of 5okl by Molmil](/molmil-images/mine/5okl) | Human afamin monoclinic crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Afamin, ... | Authors: | Rupp, B, Naschberger, A, Bowler, M.W. | Deposit date: | 2017-07-25 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural Evidence for a Role of the Multi-functional Human Glycoprotein Afamin in Wnt Transport. Structure, 25, 2017
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5OLB
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![BU of 5olb by Molmil](/molmil-images/mine/5olb) | crystal structure of autotaxin in complex with PF-8380 | Descriptor: | (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hoerer, S, Lammens, A. | Deposit date: | 2017-07-27 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, 8, 2017
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5OR3
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![BU of 5or3 by Molmil](/molmil-images/mine/5or3) | Crystal structure of Aspergillus oryzae catechol oxidase in met/deoxy-form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hakulinen, N, Penttinen, L, Rutanen, C, Rouvinen, J. | Deposit date: | 2017-08-15 | Release date: | 2018-05-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes. PLoS ONE, 13, 2018
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5OR4
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![BU of 5or4 by Molmil](/molmil-images/mine/5or4) | Crystal structure of Aspergillus oryzae catechol oxidase in deoxy-form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | Authors: | Hakulinen, N, Penttinen, L, Rutanen, C, Rouvinen, J. | Deposit date: | 2017-08-15 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes. PLoS ONE, 13, 2018
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5OUG
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![BU of 5oug by Molmil](/molmil-images/mine/5oug) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline and allosteric binder fragment 4. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, Alpha-Lobeline, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-12-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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5OUH
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![BU of 5ouh by Molmil](/molmil-images/mine/5ouh) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, Alpha-Lobeline, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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5OUI
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![BU of 5oui by Molmil](/molmil-images/mine/5oui) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with allosteric binder fragment CU2017 | Descriptor: | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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5OY9
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![BU of 5oy9 by Molmil](/molmil-images/mine/5oy9) | VSV G CR3 | 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: | Albertini, A.A, Belot, L, Legrand, P, Gaudin, Y. | Deposit date: | 2017-09-08 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis for the recognition of LDL-receptor family members by VSV glycoprotein. Nat Commun, 9, 2018
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5OYJ
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![BU of 5oyj by Molmil](/molmil-images/mine/5oyj) | Crystal structure of VEGFR-2 domains 4-5 in complex with DARPin D4b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CACODYLATE ION, ... | Authors: | Piscitelli, C.L, Thieltges, K.M, Markovic-Mueller, S, Binz, H.K, Ballmer-Hofer, K. | Deposit date: | 2017-09-10 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Characterization of a drug-targetable allosteric site regulating vascular endothelial growth factor signaling. Angiogenesis, 21, 2018
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5QJ3
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![BU of 5qj3 by Molmil](/molmil-images/mine/5qj3) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2018-09-26 | Release date: | 2019-02-06 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Potent Triazolopyridine Myeloperoxidase Inhibitors. ACS Med Chem Lett, 9, 2018
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5SSX
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![BU of 5ssx by Molmil](/molmil-images/mine/5ssx) | |
5SXN
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![BU of 5sxn by Molmil](/molmil-images/mine/5sxn) | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-08-09 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5SY3
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![BU of 5sy3 by Molmil](/molmil-images/mine/5sy3) | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-08-10 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5SZL
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![BU of 5szl by Molmil](/molmil-images/mine/5szl) | Protocadherin gamma A1 extracellular cadherin domains 1-4 | 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: | Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L. | Deposit date: | 2016-08-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
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5SZM
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![BU of 5szm by Molmil](/molmil-images/mine/5szm) | Protocadherin gamma A8 extracellular cadherin domains 1-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PcdhgA8 or protocadherin gamma A8, ... | Authors: | Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. | Deposit date: | 2016-08-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
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5SZQ
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![BU of 5szq by Molmil](/molmil-images/mine/5szq) | Protocadherin Gamma A4 extracellular cadherin domains 3-6 | 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: | Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. | Deposit date: | 2016-08-14 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
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5SZS
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![BU of 5szs by Molmil](/molmil-images/mine/5szs) | Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Walls, A.C, Tortorici, M.A, Frenz, B, Snijder, J, Li, W, Rey, F.A, DiMaio, F, Bosch, B.J, Veesler, D. | Deposit date: | 2016-08-15 | Release date: | 2016-09-14 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy. Nat.Struct.Mol.Biol., 23, 2016
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