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1XMA
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BU of 1xma by Molmil
Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
分子名称: MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION
著者Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-10-01
公開日2004-12-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
To be published
1XRG
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BU of 1xrg by Molmil
Conserved hypothetical protein from Clostridium thermocellum Cth-2968
分子名称: Putative translation initiation inhibitor, yjgF family, UNKNOWN ATOM OR ION
著者Zhao, M, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Zhang, H, Arendall III, W.B, Ljundahl, L, Liu, Z.-J, Rose, J, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-10-14
公開日2004-12-14
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conserved hypothetical protein from Clostridium thermocellum Cth-2968
To be published
1YBY
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BU of 1yby by Molmil
Conserved hypothetical protein Cth-95 from Clostridium thermocellum
分子名称: Translation elongation factor P, UNKNOWN ATOM OR ION
著者Zhao, M, Zhou, W, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-21
公開日2005-02-01
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conserved hypothetical protein Cth-95 from Clostridium thermocellum
To be published
1YBX
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BU of 1ybx by Molmil
Conserved hypothetical protein Cth-383 from Clostridium thermocellum
分子名称: Conserved hypothetical protein, UNKNOWN ATOM OR ION
著者Tempel, W, Chang, J, Zhao, M, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-21
公開日2005-02-01
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conserved hypothetical protein Cth-383 from Clostridium thermocellum
To be published
1ZD0
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BU of 1zd0 by Molmil
Crystal structure of Pfu-542154 conserved hypothetical protein
分子名称: MAGNESIUM ION, METHANOL, UNKNOWN ATOM OR ION, ...
著者Habel, J.E, Liu, Z.J, Horanyi, P.S, Florence, Q.J.T, Tempel, W, Zhou, W, Chen, L, Lee, D, Nguyen, J, Chang, S.H, Bereton, P, Izumi, M, Jenny Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-04-13
公開日2005-05-17
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Pfu-542154 conserved hypothetical protein
To be Published
2A4K
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BU of 2a4k by Molmil
3-Oxoacyl-[acyl carrier protein] reductase from Thermus thermophilus TT0137
分子名称: 3-oxoacyl-[acyl carrier protein] reductase, UNKNOWN ATOM OR ION
著者Zhou, W, Ebihara, A, Tempel, W, Yokoyama, S, Chen, L, Kuramitsu, S, Nguyen, J, Chang, S.-H, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-06-29
公開日2006-01-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献3-Oxoacyl-[acyl carrier protein] reductase from Thermus thermophilus TT0137
To be Published
4PHU
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BU of 4phu by Molmil
Crystal structure of Human GPR40 bound to allosteric agonist TAK-875
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIMETHYL SULFOXIDE, Free fatty acid receptor 1,Lysozyme, ...
著者Srivastava, A, Yano, J.K, Hirozane, Y, Kefala, G, Snell, G, Lane, W, Gruswitz, F, Ivetac, A, Aertgeerts, K, Nguyen, J, Jennings, A, Okada, K.
登録日2014-05-07
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.332 Å)
主引用文献High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875.
Nature, 513, 2014
4DLO
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BU of 4dlo by Molmil
Crystal structure of the GAIN and HormR domains of brain angiogenesis inhibitor 3 (BAI3)
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, Brain-specific angiogenesis inhibitor 3, ...
著者Arac, D, Boucard, A.A, Bolliger, M.F, Nguyen, J, Soltis, M, Sudhof, T.C, Brunger, A.T.
登録日2012-02-06
公開日2012-02-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel evolutionarily conserved domain of cell-adhesion GPCRs mediates autoproteolysis.
Embo J., 31, 2012
4DLQ
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BU of 4dlq by Molmil
Crystal structure of the GAIN and HormR domains of CIRL 1/Latrophilin 1 (CL1)
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, GLYCEROL, ...
著者Arac, D, Boucard, A.A, Bolliger, M.F, Nguyen, J, Soltis, M, Sudhof, T.C, Brunger, A.T.
登録日2012-02-06
公開日2012-02-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A novel evolutionarily conserved domain of cell-adhesion GPCRs mediates autoproteolysis.
Embo J., 31, 2012
8TQG
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BU of 8tqg by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419
分子名称: N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-07
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 2024
8TQV
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BU of 8tqv by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403
分子名称: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-08
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 2024
8TR4
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BU of 8tr4 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404
分子名称: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-09
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 2024
8TRY
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BU of 8try by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348
分子名称: N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-10
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 2024
1XHO
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BU of 1xho by Molmil
Chorismate mutase from Clostridium thermocellum Cth-682
分子名称: Chorismate mutase, UNKNOWN ATOM OR ION
著者Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-20
公開日2004-11-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
4LH5
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BU of 4lh5 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, MAGNESIUM ION
著者Ruff, M, Levy, N, Eiler, S.
登録日2013-06-30
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
4LH4
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BU of 4lh4 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
分子名称: Integrase, MAGNESIUM ION
著者Ruff, M, Levy, N, Eiler, S.
登録日2013-06-30
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
3LIV
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BU of 3liv by Molmil
crystal structure of HTLV protease complexed with the inhibitor KNI-10683
分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, Protease
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIT
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BU of 3lit by Molmil
The crystal structure of htlv protease complexed with the inhibitor KNI-10681
分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide, Protease
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
6M9L
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BU of 6m9l by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10
分子名称: 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-23
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
6M95
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
分子名称: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-22
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
3LIN
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BU of 3lin by Molmil
crystal structure of HTLV protease complexed with the inhibitor, KNI-10562
分子名称: N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide, Protease
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIQ
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Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673
分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide, Protease
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIY
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crystal structure of HTLV protease complexed with Statine-containing peptide inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, Protease, statine-containing inhibitor
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIX
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crystal structure of htlv protease complexed with the inhibitor KNI-10729
分子名称: N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide, Protease, ZINC ION
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
4YRC
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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 2-aminoquinolin-8-ol (Chem 89)
分子名称: 1,2-ETHANEDIOL, 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015

 

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