2XW6
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![BU of 2xw6 by Molmil](/molmil-images/mine/2xw6) | The Crystal Structure of Methylglyoxal Synthase from Thermus sp. GH5 Bound to Phosphate Ion. | Descriptor: | METHYLGLYOXAL SYNTHASE, PHOSPHATE ION | Authors: | Shahsavar, A, Erfani Moghaddam, M, Antonyuk, S.V, Khajeh, K, Naderi-Manesh, H. | Deposit date: | 2010-11-01 | Release date: | 2011-11-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Atomic Resolution Structure of Methylglyoxal Synthase from Thermus Sp. Gh5 Bound to Phosphate: Insights Into the Distinctive Effects of Phosphate on the Enzyme Structure To be Published
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6ZBV
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![BU of 6zbv by Molmil](/molmil-images/mine/6zbv) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | Descriptor: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-06-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
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4UM3
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![BU of 4um3 by Molmil](/molmil-images/mine/4um3) | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 | Descriptor: | 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ... | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | Deposit date: | 2014-05-14 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity Mol.Pharmacol., 88, 2015
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4UM1
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![BU of 4um1 by Molmil](/molmil-images/mine/4um1) | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 | Descriptor: | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | Deposit date: | 2014-05-14 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity Mol.Pharmacol., 88, 2015
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4OTK
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![BU of 4otk by Molmil](/molmil-images/mine/4otk) | A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form | Descriptor: | CHLORIDE ION, MALONATE ION, Mycobacterial Enzyme Rv2971 | Authors: | Shahine, A, Beddoe, T. | Deposit date: | 2014-02-13 | Release date: | 2014-05-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form Acta Crystallogr.,Sect.F, 70, 2014
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8GK6
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![BU of 8gk6 by Molmil](/molmil-images/mine/8gk6) | |
6ZPL
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![BU of 6zpl by Molmil](/molmil-images/mine/6zpl) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions. | Descriptor: | CHLORIDE ION, Endoglucanase H, SODIUM ION, ... | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-07-08 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.945 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
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5WJO
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![BU of 5wjo by Molmil](/molmil-images/mine/5wjo) | Crystal structure of the unliganded PG90 TCR | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-24 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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5WKG
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![BU of 5wkg by Molmil](/molmil-images/mine/5wkg) | Crystal Structure of Human CD1b in Complex with PA | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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5WL1
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![BU of 5wl1 by Molmil](/molmil-images/mine/5wl1) | Crystal Structure of Human CD1b in Complex with PG | Descriptor: | (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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5WKE
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![BU of 5wke by Molmil](/molmil-images/mine/5wke) | Crystal Structure of Human CD1b in Complex with PS | Descriptor: | (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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5WKI
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![BU of 5wki by Molmil](/molmil-images/mine/5wki) | Crystal structure of PG90 TCR-CD1b-PG complex | Descriptor: | (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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2X8W
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![BU of 2x8w by Molmil](/molmil-images/mine/2x8w) | The Crystal Structure of Methylglyoxal Synthase from Thermus sp. GH5 Bound to Malonate. | Descriptor: | MALONATE ION, METHYLGLYOXAL SYNTHASE | Authors: | Shahsavar, A, Erfani Moghaddam, M, Antonyuk, S.V, Khajeh, K, Naderi-Manesh, H. | Deposit date: | 2010-03-13 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Methylglyoxal Synthase from Thermus Sp.Gh5 in the Open and Closed Conformational States Provide Insight Into the Mechanism of Allosteric Regulation To be Published
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6V80
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![BU of 6v80 by Molmil](/molmil-images/mine/6v80) | |
6V7Z
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![BU of 6v7z by Molmil](/molmil-images/mine/6v7z) | Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | Authors: | Shahine, A, Rossjohn, J. | Deposit date: | 2019-12-10 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response. Nat Cancer, 2020
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4ALX
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![BU of 4alx by Molmil](/molmil-images/mine/4alx) | Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE | Descriptor: | (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one, ACETYLCHOLINE BINDING PROTEIN, MAGNESIUM ION, ... | Authors: | Shahsavar, A, Kastrup, J.S, Nielsen, E.O, Kristensen, J.L, Gajhede, M, Balle, T. | Deposit date: | 2012-03-06 | Release date: | 2012-08-29 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Lymnaea Stagnalis Achbp Complexed with the Potent Nachr Antagonist Dh-Betab-E Suggests a Unique Mode of Antagonism Plos One, 7, 2012
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6V7Y
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![BU of 6v7y by Molmil](/molmil-images/mine/6v7y) | Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | Authors: | Shahine, A, Rossjohn, J. | Deposit date: | 2019-12-10 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response. Nat Cancer, 2020
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4ZY7
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![BU of 4zy7 by Molmil](/molmil-images/mine/4zy7) | |
3RTK
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![BU of 3rtk by Molmil](/molmil-images/mine/3rtk) | Crystal structure of Cpn60.2 from Mycobacterium tuberculosis at 2.8A | Descriptor: | 60 kDa chaperonin 2, MAGNESIUM ION | Authors: | Shahar, A, Melamed-Frank, M, Kashi, Y, Adir, N. | Deposit date: | 2011-05-03 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The dimeric structure of the Cpn60.2 chaperonin of Mycobacterium tuberculosis at 2.8 A reveals possible modes of function. J.Mol.Biol., 412, 2011
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8GLF
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![BU of 8glf by Molmil](/molmil-images/mine/8glf) | Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Shahine, A. | Deposit date: | 2023-03-22 | Release date: | 2023-09-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms. Cell, 186, 2023
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8GLE
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![BU of 8gle by Molmil](/molmil-images/mine/8gle) | Crystal Structure of Human CD1b in Complex with Lysosulfatide | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shahine, A. | Deposit date: | 2023-03-22 | Release date: | 2023-09-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms. Cell, 186, 2023
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6HAR
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![BU of 6har by Molmil](/molmil-images/mine/6har) | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | Deposit date: | 2018-08-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J.Biol.Chem., 294, 2019
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8GLG
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![BU of 8glg by Molmil](/molmil-images/mine/8glg) | Crystal Structure of Human CD1b in Complex with Phosphatidylethanolamine C34:1 | Descriptor: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shahine, A. | Deposit date: | 2023-03-22 | Release date: | 2023-09-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms. Cell, 186, 2023
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6XXO
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![BU of 6xxo by Molmil](/molmil-images/mine/6xxo) | |
6XXP
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![BU of 6xxp by Molmil](/molmil-images/mine/6xxp) | |