8E9H
 
 | | Mycobacterial respiratory complex I, fully-inserted quinone | | Descriptor: | (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liang, Y, Rubinstein, J.L. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-12 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8E9G
 | | Mycobacterial respiratory complex I with both quinone positions modelled | | Descriptor: | (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liang, Y, Rubinstein, J.L. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8DSD
 | | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S | | Descriptor: | (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSH
 | | Human NAMPT in complex with quercitrin and AMPcP | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DTJ
 | | Human NAMPT in complex with small molecule activator ZN-43-S | | Descriptor: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-25 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSI
 | | Human NAMPT in complex with substrate NAM | | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSC
 | | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-R | | Descriptor: | (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.321 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSE
 | | Human NAMPT in complex with substrate NAM and activator quercitrin | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.428 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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4MQ6
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6IAN
 | | T. brucei IFT22/74/81 GTP-bound crystal structure | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Intraflagellar transport protein 74, Intraflagellar transport protein 81, ... | | Authors: | Wachter, S, Basquin, J, Lorentzen, E. | | Deposit date: | 2018-11-27 | | Release date: | 2019-05-01 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Binding of IFT22 to the intraflagellar transport complex is essential for flagellum assembly.
Embo J., 38, 2019
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7FG6
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3Q7D
 | | Structure of (R)-naproxen bound to mCOX-2. | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J. | | Deposit date: | 2011-01-04 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
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3ENH
 | | Crystal structure of Cgi121/Bud32/Kae1 complex | | Descriptor: | HEXATANTALUM DODECABROMIDE, Putative O-sialoglycoprotein endopeptidase, Uncharacterized protein MJ0187 | | Authors: | Neculai, D. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Atomic Structure of the KEOPS Complex: An Ancient Protein Kinase-Containing Molecular Machine
Mol.Cell, 32, 2008
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3RR3
 | | Structure of (R)-flurbiprofen bound to mCOX-2 | | Descriptor: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J. | | Deposit date: | 2011-04-28 | | Release date: | 2011-11-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.842 Å) | | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
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3OLT
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3OLU
 | | X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H murine COX-2 | | Descriptor: | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vecchio, A.J, Malkowski, M.G. | | Deposit date: | 2010-08-26 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
J.Biol.Chem., 286, 2011
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5JWJ
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8GJY
 | | Structure of a cGAS-like receptor Sp-cGLR1 from S. pistillata | | Descriptor: | cGAS-like receptor 1 | | Authors: | Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
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4OIO
 | | Crystal structure of Thermus thermophilus pre-insertion substrate complex for de novo transcription initiation | | Descriptor: | 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ... | | Authors: | Zhang, Y, Ebright, R.H, Arnold, E. | | Deposit date: | 2014-01-20 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
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5Z9R
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4Q5S
 | | Thermus thermophilus RNA polymerase initially transcribing complex containing 6-mer RNA | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*GP*CP*AP*GP*CP*CP*A)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3'), ... | | Authors: | Murakami, K.S. | | Deposit date: | 2014-04-17 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of transcription initiation by bacterial RNA polymerase holoenzyme.
J.Biol.Chem., 289, 2014
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3QMO
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5L16
 | | Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major | | Descriptor: | Putative selenophosphate synthetase, SULFATE ION | | Authors: | Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H. | | Deposit date: | 2016-07-28 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase.
Plos Negl Trop Dis, 14, 2020
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2C31
 | | CRYSTAL STRUCTURE OF OXALYL-COA DECARBOXYLASE IN COMPLEX WITH THE COFACTOR DERIVATIVE THIAMIN-2-THIAZOLONE DIPHOSPHATE AND ADENOSINE DIPHOSPHATE | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Berthold, C.L, Moussatche, P, Richards, N.G.J, Lindqvist, Y. | | Deposit date: | 2005-10-03 | | Release date: | 2005-10-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Basis for Activation of the Thiamin Diphosphate-Dependent Enzyme Oxalyl-Coa Decarboxylase by Adenosine Diphosphate.
J.Biol.Chem., 280, 2005
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4Q4Z
 | | Thermus thermophilus RNA polymerase de novo transcription initiation complex | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ADENOSINE-5'-TRIPHOSPHATE, DNA (25-MER), ... | | Authors: | Murakami, K.S. | | Deposit date: | 2014-04-15 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of transcription initiation by bacterial RNA polymerase holoenzyme.
J.Biol.Chem., 289, 2014
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