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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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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1XI3
 | | Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001 | | Descriptor: | NICKEL (II) ION, SULFATE ION, Thiamine phosphate pyrophosphorylase, ... | | Authors: | 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) | | Deposit date: | 2004-09-21 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001
To be published
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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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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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7ULN
 | | Turnip yellows virus N-terminal readthrough domain | | Descriptor: | Minor capsid protein P3-RTD | | Authors: | Schiltz, C.J, Chappie, J.S. | | Deposit date: | 2022-04-05 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Polerovirus N-terminal readthrough domain structures reveal molecular strategies for mitigating virus transmission by aphids
Nat Commun, 13, 2022
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7ULO
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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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7XZR
 | | Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | 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: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.26 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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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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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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5KEI
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5U3F
 | | Structure of Mycobacterium tuberculosis IlvE, a branched-chain amino acid transaminase, in complex with D-cycloserine derivative | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Branched-chain-amino-acid aminotransferase | | Authors: | Favrot, L, Amorim Franco, T.M, Blanchard, J.S. | | Deposit date: | 2016-12-02 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Mechanism-Based Inhibition of the Mycobacterium tuberculosis Branched-Chain Aminotransferase by d- and l-Cycloserine.
ACS Chem. Biol., 12, 2017
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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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3O41
 | | Crystal Structure of 101F Fab Bound to 15-mer Peptide Epitope | | Descriptor: | Fusion glycoprotein F1, Mouse monoclonal antibody 101F Fab heavy chain, Mouse monoclonal antibody 101F Fab light chain, ... | | Authors: | McLellan, J.S, Chen, M, Chang, J.S, Yang, Y, Kim, A, Graham, B.S, Kwong, P.D. | | Deposit date: | 2010-07-26 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of a Major Antigenic Site on the Respiratory Syncytial Virus Fusion Glycoprotein in Complex with Neutralizing Antibody 101F.
J.Virol., 84, 2010
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2SOD
 | | DETERMINATION AND ANALYSIS OF THE 2 ANGSTROM STRUCTURE OF COPPER, ZINC SUPEROXIDE DISMUTASE | | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Tainer, J.A, Getzoff, E.D, Richardson, J.S, Richardson, D.C. | | Deposit date: | 1980-03-25 | | Release date: | 1980-05-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Determination and analysis of the 2 A-structure of copper, zinc superoxide dismutase.
J.Mol.Biol., 160, 1982
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3O45
 | | Crystal Structure of 101F Fab Bound to 17-mer Peptide Epitope | | Descriptor: | Fusion glycoprotein F1, Mouse monoclonal antibody 101F 101F Fab heavy chain, Mouse monoclonal antibody 101F 101F Fab light chain, ... | | Authors: | McLellan, J.S, Chen, M, Chang, J.S, Yang, Y, Kim, A, Graham, B.S, Kwong, P.D. | | Deposit date: | 2010-07-26 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.872 Å) | | Cite: | Structure of a Major Antigenic Site on the Respiratory Syncytial Virus Fusion Glycoprotein in Complex with Neutralizing Antibody 101F.
J.Virol., 84, 2010
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3JSL
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3JSN
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6C32
 | | Mycobacterium smegmatis RimJ with AcCoA | | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, GNAT family protein | | Authors: | Favrot, L, Hegde, S.S, Blanchard, J.S. | | Deposit date: | 2018-01-09 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
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6C5D
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1XK8
 | | Divalent cation tolerant protein CUTA from Homo sapiens O60888 | | Descriptor: | Divalent cation tolerant protein CUTA, SODIUM ION | | Authors: | Tempel, W, Chen, L, Liu, Z.-J, Lee, D, Shah, A, Dailey, T.A, Mayer, M.R, Arendall III, W.B, Rose, J.P, Dailey, H.A, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-27 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Divalent cation tolerant protein CUTA from Homo sapiens O60888
To be published
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