6UL8
 
 | | RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide | | Descriptor: | (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2 | | Authors: | Shewchuk, L.M, Convery, M.A. | | Deposit date: | 2019-10-07 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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5KE0
 | | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | | Descriptor: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Hruza, A, Lim, J. | | Deposit date: | 2016-06-09 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
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6SZE
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6V52
 | | IDO1 IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | | Deposit date: | 2019-12-03 | | Release date: | 2020-04-08 | | Last modified: | 2020-04-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
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6CW7
 | | E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ... | | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | Deposit date: | 2018-03-30 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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6CYV
 | | E. coli DHFR ternary complex with NADP and dihydrofolate | | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | Deposit date: | 2018-04-06 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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6CXK
 | | E. coli DHFR substrate complex with Dihydrofolate | | Descriptor: | CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | Deposit date: | 2018-04-03 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.108 Å) | | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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6CQA
 | | E. coli DHFR complex with inhibitor AMPQD | | Descriptor: | 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Cao, H, Rodrigues, J, Benach, J, Wasserman, S, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | Deposit date: | 2018-03-14 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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3LRA
 | | Structural Basis for Assembling a Human Tripartite Complex Dlg1-MPP7-Mals3 | | Descriptor: | Disks large homolog 1, MAGUK p55 subfamily member 7, Protein lin-7 homolog C | | Authors: | Yang, X, Xie, X, Shen, Y, Long, J. | | Deposit date: | 2010-02-10 | | Release date: | 2010-11-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis for tandem L27 domain-mediated polymerization
Faseb J., 24, 2010
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3MHZ
 | | 1.7A structure of 2-fluorohistidine labeled Protective Antigen | | Descriptor: | CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Wimalasena, D.S, Janowiak, B.E, Miyagi, M, Sun, J, Hajduch, J, Pooput, C, Kirk, K.L, Bann, J.G. | | Deposit date: | 2010-04-09 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation.
Biochemistry, 49, 2010
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5XLR
 | | Structure of SARS-CoV spike glycoprotein | | Descriptor: | Spike glycoprotein | | Authors: | Gui, M, Song, W, Xiang, Y, Wang, X. | | Deposit date: | 2017-05-11 | | Release date: | 2017-06-07 | | Last modified: | 2019-10-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-electron microscopy structures of the SARS-CoV spike glycoprotein reveal a prerequisite conformational state for receptor binding.
Cell Res., 27, 2017
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6PU7
 | | Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide) | | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-07-17 | | Release date: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
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2MC7
 | | Structure of Salmonella MgtR | | Descriptor: | Regulatory peptide | | Authors: | Jean-Francois, F, Dai, J, Yu, L, Myrick, A, Rubin, E, Fajer, P, Song, L, Zhou, H, Cross, T. | | Deposit date: | 2013-08-15 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | Binding of MgtR, a Salmonella Transmembrane Regulatory Peptide, to MgtC, a Mycobacterium tuberculosis Virulence Factor: A Structural Study.
J.Mol.Biol., 426, 2014
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2MMU
 | | Structure of CrgA, a Cell Division Structural and Regulatory Protein from Mycobacterium tuberculosis, in Lipid Bilayers | | Descriptor: | Cell division protein CrgA | | Authors: | Das, N, Dai, J, Hung, I, Rajagopalan, M, Zhou, H, Cross, T.A. | | Deposit date: | 2014-03-18 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure of CrgA, a cell division structural and regulatory protein from Mycobacterium tuberculosis, in lipid bilayers.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4X0V
 | | Structure of a GH5 family lichenase from Caldicellulosiruptor sp. F32 | | Descriptor: | Beta-1,3-1,4-glucanase | | Authors: | Meng, D, Liu, X, Wang, X, Li, F, Feng, Y. | | Deposit date: | 2014-11-24 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.798 Å) | | Cite: | Structural Insights into the Substrate Specificity of a Glycoside Hydrolase Family 5 Lichenase from Caldicellulosiruptor sp. F32
Biochem. J., 2017
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4XFV
 | | Crystal Structure of Elp2 | | Descriptor: | Elongator complex protein 2 | | Authors: | Lin, Z, Dong, C, Long, J, Shen, Y. | | Deposit date: | 2014-12-29 | | Release date: | 2015-05-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The elp2 subunit is essential for elongator complex assembly and functional regulation
Structure, 23, 2015
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2QFJ
 | | Crystal Structure of First Two RRM Domains of FIR Bound to ssDNA from a Portion of FUSE | | Descriptor: | DNA (5'-D(*DTP*DCP*DGP*DGP*DGP*DAP*DTP*DTP*DTP*DTP*DTP*DTP*DAP*DTP*DTP*DTP*DTP*DGP*DTP*DGP*DTP*DTP*DAP*DTP*DT)-3'), FBP-interacting repressor | | Authors: | Crichlow, G.V, Yang, Y, Fan, C, Lolis, E, Braddock, D. | | Deposit date: | 2007-06-27 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dimerization of FIR upon FUSE DNA binding suggests a mechanism of c-myc inhibition
EMBO J., 27, 2007
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2QSE
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2QR9
 | | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate | | Authors: | Nettles, K.W, Bruning, J.B. | | Deposit date: | 2007-07-27 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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3U3I
 | | A RNA binding protein from Crimean-Congo hemorrhagic fever virus | | Descriptor: | Nucleocapsid protein | | Authors: | Guo, Y, Wang, W.M, Ji, W, Deng, M, Sun, Y.N, Lou, Z.Y, Rao, Z.H. | | Deposit date: | 2011-10-06 | | Release date: | 2012-03-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Crimean-Congo hemorrhagic fever virus nucleoprotein reveals endonuclease activity in bunyaviruses
Proc.Natl.Acad.Sci.USA, 109, 2012
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6U9K
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | | Descriptor: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2019-09-09 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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6U9N
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2019-09-09 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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6U9R
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140) | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2019-09-09 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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6U9M
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109) | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2019-09-09 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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8TYP
 | | Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | | Descriptor: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Geisbrecht, B.V. | | Deposit date: | 2023-08-25 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs.
J Immunol., 212, 2024
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