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2KZT
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BU of 2kzt by Molmil
Structure of the Tandem MA-3 Region of Pdcd4
分子名称: Programmed cell death protein 4
著者Waters, L.C, Strong, S.L, Oka, O, Muskett, F.W, Veverka, V, Banerjee, S, Schmedt, T, Henry, A.J, Klempnauer, K.H, Carr, M.D.
登録日2010-06-24
公開日2011-03-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the tandem MA-3 region of Pdcd4 protein and characterization of its interactions with eIF4A and eIF4G: molecular mechanisms of a tumor suppressor
J.Biol.Chem., 286, 2011
2L73
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Structure of the NOXO1b PX domain
分子名称: NADPH oxidase organizer 1
著者Davis, N.Y, McPhail, L.C, Horita, D.A.
登録日2010-12-02
公開日2011-12-21
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the NOXO1b PX domain
To be Published
2C1A
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BU of 2c1a by Molmil
Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide
分子名称: CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
著者Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E.
登録日2005-09-12
公開日2005-11-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
2C1B
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BU of 2c1b by Molmil
Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
分子名称: (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR
著者Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E.
登録日2005-09-12
公開日2005-11-02
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
2M5S
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BU of 2m5s by Molmil
High-resolution NMR structure and cryo-EM imaging support multiple functional roles for the accessory I-domain of phage P22 coat protein
分子名称: Coat protein
著者Rizzo, A.A, Suhanovsky, M.M, Baker, M.L, Fraser, L.C.R, Jones, L.M, Rempel, D.L, Gross, M.L, Chiu, W, Alexandrescu, A.T, Teschke, C.M.
登録日2013-03-05
公開日2014-03-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Multiple Functional Roles of the Accessory I-Domain of Bacteriophage P22 Coat Protein Revealed by NMR Structure and CryoEM Modeling.
Structure, 22, 2014
2H5Y
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BU of 2h5y by Molmil
Crystallographic structure of the Molybdate-Binding Protein of Xanthomonas citri at 1.7 Ang resolution bound to molybdate
分子名称: MOLYBDATE ION, Molybdate-binding periplasmic protein, SULFATE ION
著者Balan, A, Santacruz, C.P, Ferreira, L.C.S, Barbosa, J.A.R.G.
登録日2006-05-29
公開日2007-06-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallization, data collection and phasing of the molybdate-binding protein of the phytopathogen Xanthomonas axonopodis pv. citri
Acta Crystallogr.,Sect.F, 62, 2006
6QSR
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BU of 6qsr by Molmil
The Dehydratase Heterocomplex ApeI:P from Xenorhabdus doucetiae
分子名称: AMP-dependent synthetase and ligase, Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase FabA/FabZ, SODIUM ION
著者Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H.
登録日2019-02-21
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments.
J.Am.Chem.Soc., 141, 2019
7KJU
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Cgi121-tRNA complex
分子名称: MAGNESIUM ION, RNA (75-MER)
著者Ceccarelli, D.F, Beenstock, J, Wan, L.C.K, Sicheri, F.
登録日2020-10-26
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献A substrate binding model for the KEOPS tRNA modifying complex.
Nat Commun, 11, 2020
6UY4
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BU of 6uy4 by Molmil
Crystal structure of dihydroorotate dehydrogenase from Schistosoma mansoni
分子名称: 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
著者Mori, R.M, Zapata, L.C.C, Nonato, M.C.
登録日2019-11-11
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structural basis for the function and inhibition of dihydroorotate dehydrogenase from Schistosoma mansoni.
Febs J., 288, 2021
6NDQ
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Crystal structure of a LPMO from Kitasatospora papulosa
分子名称: lytic polysaccharide monooxygenase
著者Correa, T.L.C, Tomazini Jr, A, Murakami, M.T.
登録日2018-12-14
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal structure of a LPMO from Kitasatospora papulosa
To Be Published
6QSP
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BU of 6qsp by Molmil
Ketosynthase (ApeO) in Complex with its Chain Length Factor (ApeC) from Xenorhabdus doucetiae
分子名称: Beta-ketoacyl synthase, GLYCEROL, PHOSPHATE ION, ...
著者Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H.
登録日2019-02-21
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments.
J.Am.Chem.Soc., 141, 2019
6SM4
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BU of 6sm4 by Molmil
AntF (apo): type II PKS acyl-carrier protein
分子名称: Acyl carrier protein
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-21
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6SMD
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BU of 6smd by Molmil
PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase
分子名称: Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-21
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6SM6
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BU of 6sm6 by Molmil
AntF (holo): type II PKS acyl-carrier protein
分子名称: Acyl carrier protein
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-21
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6SMO
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AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
分子名称: 3,5,7,9,11-pentakis(oxidanylidene)dodecanal, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-22
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6SMP
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AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
分子名称: (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-22
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
1SGW
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BU of 1sgw by Molmil
Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001
分子名称: CHLORIDE ION, SODIUM ION, putative ABC transporter
著者Liu, Z.J, Tempel, W, Shah, A, Chen, L, Lee, D, Kelley, L.-L.C, Dillard, B.D, Rose, J.P, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.S, 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2004-02-24
公開日2004-08-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001
To be Published
1XI3
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Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001
分子名称: NICKEL (II) ION, SULFATE ION, Thiamine phosphate pyrophosphorylase, ...
著者Zhou, W, Chen, L, Tempel, W, Liu, Z.-J, Habel, J, Lee, D, Lin, D, Chang, S.-H, Dillard, B.D, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Kelley, L.-L.C, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-21
公開日2004-09-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001
To be published
1XX7
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Conserved hypothetical protein from Pyrococcus furiosus Pfu-403030-001
分子名称: NICKEL (II) ION, UNKNOWN ATOM OR ION, oxetanocin-like protein
著者Chen, L, Tempel, W, Habel, J, Zhou, W, Nguyen, D, Chang, S.-H, Lee, D, Kelley, L.-L.C, Dillard, B.D, Liu, Z.-J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-11-04
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.261 Å)
主引用文献Conserved hypothetical protein from Pyrococcus furiosus Pfu-403030-001
To be published
1YBZ
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BU of 1ybz by Molmil
Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
分子名称: UNKNOWN ATOM OR ION, chorismate mutase
著者Lee, D, Chen, L, Nguyen, D, Dillard, B.D, Tempel, W, Habel, J, Zhou, W, Chang, S.-H, Kelley, L.-L.C, Liu, Z.-J, Lin, D, Zhang, H, Praissman, J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, 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2004-12-21
公開日2005-02-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
To be published
2VTM
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
5IGN
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BU of 5ign by Molmil
Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe
分子名称: Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
著者Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-02-28
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
2VU3
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BU of 2vu3 by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-20
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTL
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BU of 2vtl by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTT
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008

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