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2XW6
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BU of 2xw6 by Molmil
The Crystal Structure of Methylglyoxal Synthase from Thermus sp. GH5 Bound to Phosphate Ion.
分子名称: METHYLGLYOXAL SYNTHASE, PHOSPHATE ION
著者Shahsavar, A, Erfani Moghaddam, M, Antonyuk, S.V, Khajeh, K, Naderi-Manesh, H.
登録日2010-11-01
公開日2011-11-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献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
6ZBV
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BU of 6zbv by Molmil
Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7
分子名称: 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
著者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.
登録日2020-06-09
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
4UM3
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BU of 4um3 by Molmil
Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
分子名称: 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ...
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献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
4UM1
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BU of 4um1 by Molmil
Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573
分子名称: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献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
4OTK
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BU of 4otk by Molmil
A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
分子名称: CHLORIDE ION, MALONATE ION, Mycobacterial Enzyme Rv2971
著者Shahine, A, Beddoe, T.
登録日2014-02-13
公開日2014-05-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
Acta Crystallogr.,Sect.F, 70, 2014
8GK6
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BU of 8gk6 by Molmil
Crystal structure of extracellular domain of CNNM4 from Echinococcus granulosus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Metal transporter CNNM4, ...
著者Shahsavan, A, Gehring, K.
登録日2023-03-17
公開日2023-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dimerization of the CNNM extracellular domain.
Protein Sci., 33, 2024
6ZPL
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BU of 6zpl by Molmil
Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions.
分子名称: CHLORIDE ION, Endoglucanase H, SODIUM ION, ...
著者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.
登録日2020-07-08
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.945 Å)
主引用文献Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
5WJO
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BU of 5wjo by Molmil
Crystal structure of the unliganded PG90 TCR
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-24
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WKG
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BU of 5wkg by Molmil
Crystal Structure of Human CD1b in Complex with PA
分子名称: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WL1
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BU of 5wl1 by Molmil
Crystal Structure of Human CD1b in Complex with PG
分子名称: (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, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WKE
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BU of 5wke by Molmil
Crystal Structure of Human CD1b in Complex with PS
分子名称: (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, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WKI
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BU of 5wki by Molmil
Crystal structure of PG90 TCR-CD1b-PG complex
分子名称: (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, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
2X8W
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BU of 2x8w by Molmil
The Crystal Structure of Methylglyoxal Synthase from Thermus sp. GH5 Bound to Malonate.
分子名称: MALONATE ION, METHYLGLYOXAL SYNTHASE
著者Shahsavar, A, Erfani Moghaddam, M, Antonyuk, S.V, Khajeh, K, Naderi-Manesh, H.
登録日2010-03-13
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
6V80
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BU of 6v80 by Molmil
Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12
分子名称: 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, ...
著者Shahine, A, Rossjohn, J.
登録日2019-12-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
6V7Z
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BU of 6v7z by Molmil
Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22
分子名称: 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, ...
著者Shahine, A, Rossjohn, J.
登録日2019-12-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
4ALX
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BU of 4alx by Molmil
Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE
分子名称: (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, ...
著者Shahsavar, A, Kastrup, J.S, Nielsen, E.O, Kristensen, J.L, Gajhede, M, Balle, T.
登録日2012-03-06
公開日2012-08-29
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
6V7Y
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BU of 6v7y by Molmil
Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D5
分子名称: 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, ...
著者Shahine, A, Rossjohn, J.
登録日2019-12-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
4ZY7
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BU of 4zy7 by Molmil
Crystal structure of a Mycobacterial protein
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Uncharacterized protein MSMEG_5817
著者Shahine, A, Rossjohn, J, Beddoe, T.
登録日2015-05-21
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a Mycobacterial protein
To Be Published
3RTK
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BU of 3rtk by Molmil
Crystal structure of Cpn60.2 from Mycobacterium tuberculosis at 2.8A
分子名称: 60 kDa chaperonin 2, MAGNESIUM ION
著者Shahar, A, Melamed-Frank, M, Kashi, Y, Adir, N.
登録日2011-05-03
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
8GLF
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BU of 8glf by Molmil
Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
8GLE
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BU of 8gle by Molmil
Crystal Structure of Human CD1b in Complex with Lysosulfatide
分子名称: (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, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
6HAR
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BU of 6har by Molmil
Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C
分子名称: 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ...
著者Shahar, A, Cohen, I, Radisky, E, Papo, N.
登録日2018-08-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J.Biol.Chem., 294, 2019
8GLG
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BU of 8glg by Molmil
Crystal Structure of Human CD1b in Complex with Phosphatidylethanolamine C34:1
分子名称: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
6XXO
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BU of 6xxo by Molmil
Crystal structure of NB8, a nanobody targeting prostate specific membrane antigen
分子名称: NB_8
著者Shahar, A, Rosenfeld, L, Papo, N.
登録日2020-01-28
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer.
J.Med.Chem., 63, 2020
6XXP
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BU of 6xxp by Molmil
Crystal structure of NB37, a nanobody targeting prostate specific membrane antigen
分子名称: NB_37
著者Shahar, A, Rosenfeld, L, Papo, N.
登録日2020-01-28
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer.
J.Med.Chem., 63, 2020

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