1XHL
 
 | | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate | | 分子名称: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ... | | 著者 | Schormann, N, Karpova, E, Zhou, J, Zhang, Y, Symersky, J, Bunzel, R, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKInstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-09-20 | | 公開日 | 2004-09-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
To be Published
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1XKQ
 | | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor | | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain reductase family member (5D234) | | 著者 | Schormann, N, Zhou, J, Karpova, E, Zhang, Y, Symersky, J, Bunzel, B, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKinstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-09-29 | | 公開日 | 2004-10-12 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor
To be Published
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1YIS
 | | Structural genomics of Caenorhabditis elegans: adenylosuccinate lyase | | 分子名称: | SULFATE ION, adenylosuccinate lyase | | 著者 | Symersky, J, Schormann, N, Lu, S, Zhang, Y, Karpova, E, Qiu, S, Huang, W, Cao, Z, Zhou, J, Luo, M, Arabshahi, A, McKinstry, A, Luan, C.-H, Luo, D, Johnson, D, An, J, Tsao, J, Delucas, L, Shang, Q, Gray, R, Li, S, Bray, T, Chen, Y.-J, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2005-01-12 | | 公開日 | 2005-01-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural genomics of Caenorhabditis elegans: adenylosuccinate lyase
To be Published
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6S3G
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant A187C/F291C | | 分子名称: | CALCIUM ION, Lipase, ZINC ION | | 著者 | Gihaz, S, Bash, Y, Rush, I, Shahar, A, Pazy, Y, Fishman, A. | | 登録日 | 2019-06-25 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis
Chemcatchem, 2019
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6S3J
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant E134C/F149C | | 分子名称: | CALCIUM ION, Lipase, ZINC ION | | 著者 | Gihaz, S, Bash, Y, Rush, I, Shahar, A, Pazy, Y, Fishman, A. | | 登録日 | 2019-06-25 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis
Chemcatchem, 2019
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8QU9
 | | Structure of the NCOA4 (Nuclear Receptor Coactivator 4)-FTH1 (H-Ferritin) complex | | 分子名称: | FE (III) ION, Ferritin heavy chain, NCOA4 (Nuclear Receptor Coactivator 4) | | 著者 | Hoelzgen, F, Klukin, E, Zalk, R, Shahar, A, Cohen-Schwartz, S, Frank, G.A. | | 登録日 | 2023-10-15 | | 公開日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | | 主引用文献 | Structural basis for the intracellular regulation of ferritin degradation.
Nat Commun, 15, 2024
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6S3V
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant E251C/G332C | | 分子名称: | CALCIUM ION, Lipase, ZINC ION | | 著者 | Gihaz, S, Bash, Y, Rush, I, Shahar, A, Pazy, Y, Fishman, A. | | 登録日 | 2019-06-26 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis
Chemcatchem, 2019
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7ZVD
 | | K89 acetylated glucose-6-phosphate dehydrogenase (G6PD) in a complex with structural NADP+ | | 分子名称: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wu, F, Muskat, N.H, Nudelman, H, Shahar, A, Arbely, E. | | 登録日 | 2022-05-15 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Acetylation-dependent coupling between G6PD activity and apoptotic signaling.
Nat Commun, 14, 2023
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7ZVE
 | | K403 acetylated glucose-6-phosphate dehydrogenase (G6PD) | | 分子名称: | COPPER (II) ION, GLYCEROL, Glucose-6-phosphate 1-dehydrogenase | | 著者 | Wu, F, Muskat, N.H, Shahar, A, Arbely, E. | | 登録日 | 2022-05-15 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Acetylation-dependent coupling between G6PD activity and apoptotic signaling.
Nat Commun, 14, 2023
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7MX4
 | | CD1c with antigen analogue 1 | | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | | 登録日 | 2021-05-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
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7MXF
 | | CD1c with antigen analogue 2 | | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | | 登録日 | 2021-05-19 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
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7MXH
 | | CD1c with antigen analogue 3 | | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | | 登録日 | 2021-05-19 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
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5JAE
 | | LeuT in the outward-oriented, Na+-free return state, P21 form at pH 6.5 | | 分子名称: | Transporter, octyl beta-D-glucopyranoside | | 著者 | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | | 登録日 | 2016-04-12 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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 | | 分子名称: | Transporter, octyl beta-D-glucopyranoside | | 著者 | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | | 登録日 | 2016-04-12 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | 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 | | 分子名称: | Transporter, octyl beta-D-glucopyranoside | | 著者 | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | | 登録日 | 2016-04-12 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.021 Å) | | 主引用文献 | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state.
Nat Commun, 7, 2016
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5L2J
 | | Crystal Structure of human CD1b in complex with C36-GMM | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose, ACETATE ION, ... | | 著者 | Gras, S, Shahine, A, Le Nours, J, Rossjohn, J. | | 登録日 | 2016-08-02 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | T cell receptor recognition of CD1b presenting a mycobacterial glycolipid.
Nat Commun, 7, 2016
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5L2K
 | | Crystal structure of GEM42 TCR-CD1b-GMM complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose, Beta-2-microglobulin, ... | | 著者 | Gras, S, Shahine, A, Le Nours, J, Rossjohn, J. | | 登録日 | 2016-08-02 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | T cell receptor recognition of CD1b presenting a mycobacterial glycolipid.
Nat Commun, 7, 2016
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1VK1
 | | Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001 | | 分子名称: | Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | 著者 | Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-04-13 | | 公開日 | 2004-08-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | (NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
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6D64
 | | Crystal Structure of Human CD1b in Complex with POPC | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | 著者 | Shahine, A.E, Rossjohn, J. | | 登録日 | 2018-04-20 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids.
Nat Commun, 10, 2019
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6CUH
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6CUG
 | | Crystal structure of BC8B TCR-CD1b-PC complex | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | 著者 | Shahine, A.E, Rossjohn, J. | | 登録日 | 2018-03-26 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids.
Nat Commun, 10, 2019
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4NSS
 | | A structural and functional investigation of a novel protein from Mycobacterium smegmatis implicated in mycobacterial macrophage survivability | | 分子名称: | GLYCEROL, Mycobacterial protein | | 著者 | Shahine, A.E, Littler, D, Brammananath, R, Chan, P.Y, Crellin, P.K, Coppel, R.L, Rossjohn, J, Beddoe, T. | | 登録日 | 2013-11-28 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A structural and functional investigation of a novel protein from Mycobacterium smegmatis implicated in mycobacterial macrophage survivability.
Acta Crystallogr.,Sect.D, 70, 2014
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8S0P
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-14 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S0J
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-14 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S0O
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-14 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.834 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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