7XZQ
 
 | | Crystal structure of TNIK-thiopeptide TP1 complex | | Descriptor: | 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 | | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2022-06-03 | | Release date: | 2022-10-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
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6UT6
 | | Cryo-EM structure of the Escherichia coli McrBC complex | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, 5-methylcytosine-specific restriction enzyme B, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Niu, Y, Suzuki, H, Hosford, C.J, Chappie, J.S, Walz, T. | | Deposit date: | 2019-10-29 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Nat Commun, 11, 2020
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6UT3
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6UT4
 | | Cryo-EM structure of the asymmetric AAA+ domain hexamer from Thermococcus gammatolerans McrB | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase subunit of restriction endonuclease, MAGNESIUM ION | | Authors: | Niu, Y, Suzuki, H, Hosford, C.J, Chappie, J.S, Walz, T. | | Deposit date: | 2019-10-29 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Nat Commun, 11, 2020
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6UT7
 | | Fitted model for the tetradecameric assembly of Thermococcus gammatolerans McrB AAA+ hexamers with bound McrC | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase subunit of restriction endonuclease, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Niu, Y, Suzuki, H, Hosford, C.J, Chappie, J.S, Walz, T. | | Deposit date: | 2019-10-29 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.26 Å) | | Cite: | Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Nat Commun, 11, 2020
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6UT5
 | | Cryo-EM structure of the Thermococcus gammatolerans McrBC complex | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase subunit of restriction endonuclease, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Niu, Y, Suzuki, H, Hosford, C.J, Chappie, J.S, Walz, T. | | Deposit date: | 2019-10-29 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Nat Commun, 11, 2020
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6UT8
 | | Refined half-complex from tetradecameric assembly of Thermococcus gammatolerans McrB AAA+ hexamers with bound McrC | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase subunit of restriction endonuclease, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Niu, Y, Suzuki, H, Hosford, C.J, Chappie, J.S, Walz, T. | | Deposit date: | 2019-10-29 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Nat Commun, 11, 2020
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6VJF
 | | The P-Loop K to A mutation of C. therm Vps1 GTPase-BSE | | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Putative sorting protein Vps1 | | Authors: | Tornabene, B.A, Varlakhanova, N.V, Chappie, J.S, Ford, M.G.J. | | Deposit date: | 2020-01-15 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | Structural and functional characterization of the dominant negative P-loop lysine mutation in the dynamin superfamily protein Vps1.
Protein Sci., 29, 2020
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5UIS
 | | Crystal structure of IRAK4 in complex with compound 12 | | Descriptor: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIQ
 | | Crystal structure of IRAK4 in complex with compound 9 | | Descriptor: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIU
 | | Crystal structure of IRAK4 in complex with compound 30 | | Descriptor: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIR
 | | Crystal structure of IRAK4 in complex with compound 11 | | Descriptor: | 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIT
 | | Crystal structure of IRAK4 in complex with compound 14 | | Descriptor: | 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5KEI
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1XRG
 | | Conserved hypothetical protein from Clostridium thermocellum Cth-2968 | | Descriptor: | Putative translation initiation inhibitor, yjgF family, UNKNOWN ATOM OR ION | | Authors: | 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) | | Deposit date: | 2004-10-14 | | Release date: | 2004-12-14 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conserved hypothetical protein from Clostridium thermocellum Cth-2968
To be published
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5K5N
 | | Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor | | Descriptor: | 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide, Glycogen synthase kinase-3 beta, SULFATE ION | | Authors: | Kurumbail, R.G, Chang, J.S. | | Deposit date: | 2016-05-23 | | Release date: | 2016-09-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging.
Angew.Chem.Int.Ed.Engl., 55, 2016
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1XG7
 | | Conserved hypothetical protein Pfu-877259-001 from Pyrococcus furiosus | | Descriptor: | hypothetical protein | | Authors: | Chang, J, Zhao, M, Horanyi, P, Xu, H, Yang, H, Liu, Z.-J, Chen, L, Zhou, W, Habel, J, Tempel, W, Lee, D, Lin, D, Chang, S.-H, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Chen, C.-Y, 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) | | Deposit date: | 2004-09-16 | | Release date: | 2004-11-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Conserved hypothetical protein Pfu-877259-001 from Pyrococcus furiosus
To be published
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1XMA
 | | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | | Descriptor: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | | Authors: | 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) | | Deposit date: | 2004-10-01 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
To be published
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1ZGH
 | | Methionyl-tRNA formyltransferase from Clostridium thermocellum | | Descriptor: | Methionyl-tRNA formyltransferase, UNKNOWN ATOM OR ION | | Authors: | Yang, H, Kataeva, I, Xu, H, Zhao, M, Chang, J, Liu, Z, Chen, L, Tempel, W, Habel, J, Zhou, W, Lee, D, Lin, D, Chang, S, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Wang, B, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2005-04-21 | | Release date: | 2005-05-03 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Methionyl-tRNA formyltransferase from Clostridium thermocellum
To be published
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8TWQ
 | | Structure of bacteriophage lambda RexA protein | | Descriptor: | CADMIUM ION, Protein rexA, SULFATE ION | | Authors: | Adams, M.C, Chappie, J.S, Schiltz, C.J. | | Deposit date: | 2023-08-21 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The crystal structure of bacteriophage lambda RexA provides novel insights into the DNA binding properties of Rex-like phage exclusion proteins.
Nucleic Acids Res., 52, 2024
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1YEM
 | | Conserved hypothetical protein Pfu-838710-001 from Pyrococcus furiosus | | Descriptor: | Conserved hypothetical protein Pfu-838710-001, PLATINUM (II) ION, UNKNOWN ATOM OR ION | | Authors: | Yang, H, Chang, J, Shah, A, Ng, J.D, Liu, Z.-J, Chen, L, Lee, D, Tempel, W, Praissman, J.L, Lin, D, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-28 | | Release date: | 2005-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conserved hypothetical protein Pfu-838710-001 from Pyrococcus furiosus
To be published
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1XHO
 | | Chorismate mutase from Clostridium thermocellum Cth-682 | | Descriptor: | Chorismate mutase, UNKNOWN ATOM OR ION | | Authors: | 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) | | Deposit date: | 2004-09-20 | | Release date: | 2004-11-23 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
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1XE1
 | | Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001 | | Descriptor: | SULFATE ION, hypothetical protein PF0907 | | Authors: | Chang, J.C, Zhao, M, Zhou, W, Liu, Z.J, Tempel, W, Arendall III, W.B, Chen, L, Lee, D, Habel, J.E, Rose, J.P, Richardson, J.S, Richardson, D.C, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-08 | | Release date: | 2004-09-21 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001
To be published
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1XX7
 | | Conserved hypothetical protein from Pyrococcus furiosus Pfu-403030-001 | | Descriptor: | NICKEL (II) ION, UNKNOWN ATOM OR ION, oxetanocin-like protein | | Authors: | 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) | | Deposit date: | 2004-11-04 | | Release date: | 2004-12-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.261 Å) | | Cite: | Conserved hypothetical protein from Pyrococcus furiosus Pfu-403030-001
To be published
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1XI9
 | | Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001 | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, putative transaminase | | Authors: | Zhou, W, Tempel, W, Shah, A, Chen, L, Liu, Z.-J, Lee, D, Lin, D, Chang, S.-H, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.-S, 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) | | Deposit date: | 2004-09-21 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001
To be published
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