6C4D
 
 | | Structure based design of RIP1 kinase inhibitors | | Descriptor: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Saikatendu, K.S, Yoshikawa, M. | | Deposit date: | 2018-01-11 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
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2ACF
 | | NMR STRUCTURE OF SARS-COV NON-STRUCTURAL PROTEIN NSP3A (SARS1) FROM SARS CORONAVIRUS | | Descriptor: | GLYCEROL, Replicase polyprotein 1ab | | Authors: | Saikatendu, K.S, Joseph, J.S, Subramanian, V, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2005-07-18 | | Release date: | 2006-02-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis of severe acute respiratory syndrome coronavirus ADP-ribose-1''-phosphate dephosphorylation by a conserved domain of nsP3.
Structure, 13, 2005
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5V7W
 | | Crystal structure of human PARP14 bound to 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one inhibitor | | Descriptor: | 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Poly [ADP-ribose] polymerase 14 | | Authors: | saikatendu, k.s, Hirozane, M. | | Deposit date: | 2017-03-20 | | Release date: | 2017-05-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation.
Biochem. Biophys. Res. Commun., 486, 2017
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5V7T
 | | crystal structure of PARP14 bound to N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine inhibitor | | Descriptor: | N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Poly [ADP-ribose] polymerase 14 | | Authors: | saikatendu, k.s, Hirozane, M. | | Deposit date: | 2017-03-20 | | Release date: | 2017-05-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation.
Biochem. Biophys. Res. Commun., 486, 2017
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2OFZ
 | | Ultrahigh Resolution Crystal Structure of RNA Binding Domain of SARS Nucleopcapsid (N Protein) at 1.1 Angstrom Resolution in Monoclinic Form. | | Descriptor: | 1,2-ETHANEDIOL, Nucleocapsid protein | | Authors: | Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P. | | Deposit date: | 2007-01-04 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein.
J.Virol., 81, 2007
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2OG3
 | | structure of the rna binding domain of n protein from SARS coronavirus in cubic crystal form | | Descriptor: | Nucleocapsid protein | | Authors: | Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P. | | Deposit date: | 2007-01-05 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein.
J.Virol., 81, 2007
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2OZK
 | | Structure of an N-Terminal Truncated Form of Nendou (NSP15) From SARS-CORONAVIRUS | | Descriptor: | Uridylate-specific endoribonuclease | | Authors: | Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P. | | Deposit date: | 2007-02-26 | | Release date: | 2007-05-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a monomeric form of severe acute respiratory syndrome coronavirus endonuclease nsp15 suggests a role for hexamerization as an allosteric switch.
J.Virol., 81, 2007
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6C3E
 | | CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR | | Descriptor: | 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Saikatendu, K.S, Yoshikawa, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
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1SKY
 | | CRYSTAL STRUCTURE OF THE NUCLEOTIDE FREE ALPHA3BETA3 SUB-COMPLEX OF F1-ATPASE FROM THE THERMOPHILIC BACILLUS PS3 | | Descriptor: | F1-ATPASE, SULFATE ION | | Authors: | Shirakihara, Y, Leslie, A.G.W, Abrahams, J.P, Walker, J.E, Ueda, T, Sekimoto, Y, Kambara, M, Saika, K, Kagawa, Y, Yoshida, M. | | Deposit date: | 1997-02-26 | | Release date: | 1998-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The crystal structure of the nucleotide-free alpha 3 beta 3 subcomplex of F1-ATPase from the thermophilic Bacillus PS3 is a symmetric trimer.
Structure, 5, 1997
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6OHD
 | | P38 in complex with T-3220137 | | Descriptor: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2019-04-05 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019
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1WLP
 | | Solution Structure Of The P22Phox-P47Phox Complex | | Descriptor: | Cytochrome b-245 light chain, Neutrophil cytosol factor 1 | | Authors: | Ogura, K, Torikai, S, Saikawa, K, Yuzawa, S, Sumimoto, H, Inagaki, F. | | Deposit date: | 2004-06-29 | | Release date: | 2005-10-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of the tandem Src homology 3 domains of p47phox complexed with a p22phox-derived proline-rich peptide
J.Biol.Chem., 281, 2006
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2RNK
 | | NMR structure of the domain 513-651 of the SARS-CoV nonstructural protein nsp3 | | Descriptor: | Replicase polyprotein 1ab | | Authors: | Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B.W, Wilson, I.A, Stevens, R.C, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2008-01-11 | | Release date: | 2008-02-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
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3WKX
 | | Crystal structure of GH127 beta-L-arabinofuranosidase HypBA1 from Bifidobacterium longum arabinose complex form | | Descriptor: | Non-reducing end beta-L-arabinofuranosidase, ZINC ION, beta-L-arabinofuranose | | Authors: | Ito, T, Saikawa, K, Arakawa, T, Wakagi, T, Fujita, K. | | Deposit date: | 2013-11-01 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of glycoside hydrolase family 127 beta-l-arabinofuranosidase from Bifidobacterium longum.
Biochem.Biophys.Res.Commun., 447, 2014
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3WKW
 | | Crystal structure of GH127 beta-L-arabinofuranosidase HypBA1 from Bifidobacterium longum ligand free form | | Descriptor: | Non-reducing end beta-L-arabinofuranosidase | | Authors: | Ito, T, Saikawa, K, Arakawa, T, Wakagi, T, Fujita, K. | | Deposit date: | 2013-11-01 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of glycoside hydrolase family 127 beta-l-arabinofuranosidase from Bifidobacterium longum.
Biochem.Biophys.Res.Commun., 447, 2014
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2W1V
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5U4X
 | | Coactivator-associated arginine methyltransferase 1 with TP-064 | | Descriptor: | Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-06 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
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8TF5
 | | Crystal structure of orphan G protein-coupled receptor 6, pseudoapo form | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, CHOLESTEROL, ... | | Authors: | Barekatain, M, Johansson, L, Lam, J.H, Sadybekov, A.V, Han, G.W, Popov, P, Russo, J, Bliesath, J, Brice, N, Beresford, M, Carlson, L, Saikatendu, K.S, Sun, H, Murphy, S, Monenschein, H, Schiffer, H.H, Lutomski, C, Robinson, C.V, Liu, Z, Hua, T, Katritch, V, Cherezov, V. | | Deposit date: | 2023-07-07 | | Release date: | 2024-12-04 | | Last modified: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into the high basal activity and inverse agonism of the orphan receptor GPR6 implicated in Parkinson's disease.
Sci.Signal., 17, 2024
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6EDL
 | | hALK in complex with compound 1 (S)-N-(1-(2,4-difluorophenyl)ethyl)-3-(3-methyl-1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-amine | | Descriptor: | ALK tyrosine kinase receptor, N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2018-08-09 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
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6EBW
 | | hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone | | Descriptor: | ALK tyrosine kinase receptor, [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2018-08-07 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.455 Å) | | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
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6E0R
 | | hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine | | Descriptor: | ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2018-07-06 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
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8TYW
 | | cryo-EM structure of GPR6-Gs-Nb35 complex | | Descriptor: | G-protein coupled receptor 6, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Barekatain, M, Johansson, L.C, Lam, J.H, Sadybekov, A.V, Han, G.W, Popov, P, Russo, J, Bliesath, J, Brice, N, Beresford, M, Carlson, L, Saikatendu, K.S, Sun, H, Murphy, S, Monenschein, H, Schiffer, H.H, Lutomski, C, Robinson, C.V, Liu, J, Hua, T, Katritch, V, Cherezov, V. | | Deposit date: | 2023-08-26 | | Release date: | 2024-12-04 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Structural insights into the high basal activity and inverse agonism of the orphan receptor GPR6 implicated in Parkinson's disease.
Sci.Signal., 17, 2024
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7JYR
 | | hALK in complex with 1-[(1R,2R)-1-(2,4-difluorophenyl)-2-[2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl]methanamine | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile, ALK tyrosine kinase receptor | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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7JY4
 | | hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine | | Descriptor: | 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine, ALK tyrosine kinase receptor | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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7JYS
 | | hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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7JYT
 | | hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine | | Descriptor: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine, ALK tyrosine kinase receptor, GLYCEROL | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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