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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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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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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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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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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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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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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5HCJ
 | | Cationic Ligand-Gated Ion Channel | | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, ... | | Authors: | Shahsavar, A, Sauguet, L, Delarue, M. | | Deposit date: | 2016-01-04 | | Release date: | 2016-04-13 | | Last modified: | 2016-04-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel.
Structure, 24, 2016
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5HCM
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4NPP
 | | The GLIC-His10 wild-type structure in equilibrium between the open and locally-closed (LC) forms | | Descriptor: | NICKEL (II) ION, Proton-gated ion channel | | Authors: | Sauguet, L, Shahsavar, A, Poitevin, F, Huon, C, Menny, A, Nemecz, A, Haouz, A, Changeux, J.P, Corringer, P.J, Delarue, M. | | Deposit date: | 2013-11-22 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4NPQ
 | | The resting-state conformation of the GLIC ligand-gated ion channel | | Descriptor: | Proton-gated ion channel | | Authors: | Sauguet, L, Shahsavar, A, Poitevin, F, Huon, C, Menny, A, Nemecz, A, Haouz, A, Changeux, J.P, Corringer, P.J, Delarue, M. | | Deposit date: | 2013-11-22 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.35 Å) | | Cite: | Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7QTV
 | | Beryllium fluoride form of the Na+,K+-ATPase (E2-BeFx) | | Descriptor: | 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shahsavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P. | | Deposit date: | 2022-01-16 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4.05 Å) | | Cite: | The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
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5JAE
 | | LeuT in the outward-oriented, Na+-free return state, P21 form at pH 6.5 | | Descriptor: | Transporter, octyl beta-D-glucopyranoside | | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | | Deposit date: | 2016-04-12 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state.
Nat Commun, 7, 2016
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5JAF
 | | LeuT Na+-free Return State, C2 form at pH 5 | | Descriptor: | Transporter, octyl beta-D-glucopyranoside | | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | | Deposit date: | 2016-04-12 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.021 Å) | | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state.
Nat Commun, 7, 2016
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5JAG
 | | LeuT T354H mutant in the outward-oriented, Na+-free Return State | | Descriptor: | Transporter, octyl beta-D-glucopyranoside | | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | | Deposit date: | 2016-04-12 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state.
Nat Commun, 7, 2016
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7YZR
 | | 50 mM Rb+ soak of beryllium fluoride inhibited Na+,K+-ATPase, E2-BeFx (rigid body model) | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, FXYD domain-containing ion transport regulator, MAGNESIUM ION, ... | | Authors: | Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shasavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P. | | Deposit date: | 2022-02-21 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (6.92 Å) | | Cite: | The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
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7Z04
 | | 10 mM Rb+ soak of beryllium fluoride inhibited Na+,K+-ATPase, E2-BeFx (rigid body model) | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, FXYD domain-containing ion transport regulator, MAGNESIUM ION, ... | | Authors: | Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shasavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P. | | Deposit date: | 2022-02-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (7.5 Å) | | Cite: | The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
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