3UKC
 
 | | (S)-cEt-BNA decamer structure | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(1TL)P*AP*CP*GP*C)-3') | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2011-11-09 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs.
Chem.Commun.(Camb.), 48, 2012
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1VG3
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima A76Y/S77F mutant | | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products
Biochemistry, 43, 2004
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6ZA1
 | | Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2-hd | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ... | | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2020-06-04 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
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4V6I
 | | Localization of the small subunit ribosomal proteins into a 6.1 A cryo-EM map of Saccharomyces cerevisiae translating 80S ribosome | | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein RACK1 (RACK1), ... | | Authors: | Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R. | | Deposit date: | 2010-10-12 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (8.8 Å) | | Cite: | Cryo-EM structure and rRNA model of a translating eukaryotic 80S ribosome at 5.5-A resolution.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3UKE
 | | (S)-cMOE-BNA decamer structure | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(CSM)P*AP*CP*GP*C)-3') | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2011-11-09 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs.
Chem.Commun.(Camb.), 48, 2012
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6YVR
 | | Crystal structure of the neurotensin receptor 1 in complex with the peptide full agonist NTS8-13 | | Descriptor: | Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin crystallisation chaperone, neurotensin NTS8-13 (full agonist), nonyl beta-D-glucopyranoside | | Authors: | Deluigi, M, Merklinger, L, Hilge, M, Ernst, P, Klipp, A, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-04-28 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.458 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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1VZO
 | | The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein | | Descriptor: | BETA-MERCAPTOETHANOL, RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, SULFATE ION | | Authors: | Smith, K.J, Carter, P.S, Bridges, A, Horrocks, P, Lewis, C, Pettman, G, Clarke, A, Brown, M, Hughes, J, Wilkinson, M, Bax, B, Reith, A. | | Deposit date: | 2004-05-21 | | Release date: | 2004-06-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein
Structure, 12, 2004
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4V69
 | | Ternary complex-bound E.coli 70S ribosome. | | Descriptor: | 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J. | | Deposit date: | 2008-12-11 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis
Proc.Natl.Acad.Sci.USA, 106, 2009
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8TIM
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8ZN1
 | | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution
To Be Published
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8ZN4
 | | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ... | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution
To Be Published
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9BKN
 | | DHODH in complex with Ligand 16 | | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
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1MNX
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9IIM
 | | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution. | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-06-20 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution.
To Be Published
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9BKM
 | | DHODH in complex with Ligand 10 | | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
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5VER
 | | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Z | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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5VHT
 | | E. coli chorismate mutase with orthogonal interface containing p-benzoyl phenylalanine | | Descriptor: | Chorismate Mutase | | Authors: | Koh, M, Nasertorabi, F, Han, G.W, Stevens, R.C, Shultz, P.G. | | Deposit date: | 2017-04-13 | | Release date: | 2017-05-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Generation of an Orthogonal Protein-Protein Interface with a Noncanonical Amino Acid.
J. Am. Chem. Soc., 139, 2017
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6Z97
 | | Structure of the prefusion SARS-CoV-2 spike glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Duyvesteyn, H.M.E, Ren, J, Zhao, Y, Zhou, D, Huo, J, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I. | | Deposit date: | 2020-06-03 | | Release date: | 2020-07-01 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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4UTC
 | | Crystal structure of dengue 2 virus envelope glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN E, ... | | Authors: | Kikuti, C, Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
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4UTB
 | | Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, ... | | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
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1MF4
 | | Structure-based design of potent and selective inhibitors of phospholipase A2: Crystal structure of the complex formed between phosholipase A2 from Naja Naja sagittifera and a designed peptide inhibitor at 1.9 A resolution | | Descriptor: | CALCIUM ION, Phospholipase A2, VAL-ALA-PHE-ARG-SER | | Authors: | Singh, R.K, Vikram, P, Paramsivam, M, Jabeen, T, Sharma, S, Makker, J, Dey, S, Kaur, P, Srinivasan, A, Singh, T.P. | | Deposit date: | 2002-08-09 | | Release date: | 2003-09-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of specific peptide inhibitors for group I phospholipase A2: structure of a complex formed between phospholipase A2 from Naja naja sagittifera (group I) and a designed peptide inhibitor Val-Ala-Phe-Arg-Ser (VAFRS) at 1.9 A resolution reveals unique features
Biochemistry, 42, 2003
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3UR5
 | | Crystal Structure of PTE mutant K185R/I274N | | Descriptor: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, Parathion hydrolase | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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3URQ
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H with cyclohexyl methylphosphonate inhibitor | | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-22 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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5VT1
 | | Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor | | Descriptor: | 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION | | Authors: | Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-05-15 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors.
Molecules, 23, 2018
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6ZBV
 | | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | | Descriptor: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | | Deposit date: | 2020-06-09 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
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