6NTB
 
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5DA8
 | | Crystal structure of chaperonin GroEL from | | Descriptor: | 60 kDa chaperonin, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Chang, C, Marshall, N, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-08-19 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of chaperonin GroEL from
To Be Published
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4JBC
 | | Crystal Structure of the computationally designed serine hydrolase 3mmj_2, Northeast Structural Genomics Consortium (NESG) Target OR318 | | Descriptor: | PHOSPHATE ION, designed serine hydrolase 3mmj_2 | | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Baker, D, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-02-19 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Crystal Structure of the computationally designed serine hydrolase 3mmj_2, Northeast Structural Genomics Consortium (NESG) Target OR318
To be Published
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5YY1
 | | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | | Deposit date: | 2017-12-07 | | Release date: | 2018-04-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
To Be Published
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6G41
 | | Crystal structure of SeMet-labeled mavirus penton protein | | Descriptor: | Minor capsid protein | | Authors: | Born, D, Reuter, L, Meinhart, A, Reinstein, J. | | Deposit date: | 2018-03-26 | | Release date: | 2018-07-04 | | Last modified: | 2018-07-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Capsid protein structure, self-assembly, and processing reveal morphogenesis of the marine virophage mavirus.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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9EPP
 | | Cryo-EM Structure of Jumping Spider Rhodopsin-1 bound to a Giq heterotrimer | | Descriptor: | 11,20-Ethanoretinal, 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: | Tejero, O, Pamula, F, Koyanagi, M, Nagata, T, Afanasyev, P, Das, I, Deupi, X, Sheves, M, Terakita, A, Schertler, G.F.X, Rodrigues, M.J, Tsai, C.-J. | | Deposit date: | 2024-03-19 | | Release date: | 2024-10-23 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Active state structures of a bistable visual opsin bound to G proteins.
Nat Commun, 15, 2024
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5DFY
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3G9K
 | | Crystal structure of Bacillus anthracis transpeptidase enzyme CapD | | Descriptor: | Capsule biosynthesis protein capD, GLUTAMIC ACID | | Authors: | Zhang, R, Wu, R, Richter, S, Anderson, V.J, Missiakas, D, Joachimiak, A. | | Deposit date: | 2009-02-13 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal Structure of Bacillus anthracis Transpeptidase Enzyme CapD.
J.Biol.Chem., 284, 2009
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5DGJ
 | | 1.0A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (20-mer) inhibitor | | Descriptor: | 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C. | | Deposit date: | 2015-08-27 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 59, 2016
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6W0A
 | | Open-gate KcsA soaked in 1 mM BaCl2 | | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.237 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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6W0I
 | | Closed-gate KcsA soaked in 10mM KCl/5mM BaCl2 | | Descriptor: | Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.328 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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6ASH
 | | Crystal structure of human Cathepsin K with a non-active site inhibitor at 1.42 Angstrom resolution | | Descriptor: | 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K | | Authors: | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | | Deposit date: | 2017-08-24 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.423 Å) | | Cite: | Crystal structure of human Cathepsin K with a non-active site inhibitor at 1.42 Angstrom resolution.
To Be Published
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6W0Q
 | | APE1 endonuclease product complex D148E | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Whitaker, A.M. | | Deposit date: | 2020-03-02 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
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5JZY
 | | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide, DIMETHYL SULFOXIDE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2016-05-17 | | Release date: | 2017-06-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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4EPX
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
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2WXJ
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK654. | | Descriptor: | N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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5Z7W
 | | Crystal structure of Striga hermonthica HTL1 (ShHTL1) | | Descriptor: | GLYCEROL, Hyposensitive to light 1, MAGNESIUM ION, ... | | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | | Deposit date: | 2018-01-30 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.657 Å) | | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
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4NF5
 | | Crystal structure of GluN1/GluN2A ligand-binding domain in complex with glycine and D-AP5 | | Descriptor: | 5-phosphono-D-norvaline, GLYCEROL, GLYCINE, ... | | Authors: | Jespersen, A, Tajima, N, Furukawa, H. | | Deposit date: | 2013-10-30 | | Release date: | 2014-03-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Structural Insights into Competitive Antagonism in NMDA Receptors.
Neuron, 81, 2014
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5K7W
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6NS6
 | | Crystal structure of fungal lipoxygenase from Fusarium graminearum. P21 crystal form. | | Descriptor: | FE (II) ION, lipoxygenase | | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | | Deposit date: | 2019-01-24 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere.
Protein Sci., 28, 2019
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6VZ4
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6VZP
 | | HBV wild type capsid | | Descriptor: | Capsid protein | | Authors: | Zhao, Z, Wang, J, Zlotnick, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-09-30 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
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3DFH
 | | crystal structure of putative mandelate racemase / muconate lactonizing enzyme from Vibrionales bacterium SWAT-3 | | Descriptor: | SODIUM ION, mandelate racemase | | Authors: | Malashkevich, V.N, Toro, R, Wasserman, S.R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-06-12 | | Release date: | 2008-07-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | crystal structure of putative mandelate racemase / muconate lactonizing enzyme from Vibrionales bacterium SWAT-3
To be Published
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6JO3
 | | Crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase from Thermoplasma acidophilum in complex with substrate sn-glycerol-1-phosphate | | Descriptor: | Geranylgeranylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE | | Authors: | Nemoto, N, Miyazono, K, Tanokura, M, Yamagishi, A. | | Deposit date: | 2019-03-20 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase from Thermoplasma acidophilum in complex with the substrate sn-glycerol 1-phosphate.
Acta Crystallogr.,Sect.F, 75, 2019
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5HBC
 | | Intermediate structure of iron-saturated C-lobe of bovine lactoferrin at 2.79 Angstrom resolution indicates the softening of iron coordination | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, FE (III) ION, ... | | Authors: | Singh, A, Rastogi, N, Singh, P.K, Tyagi, T.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2015-12-31 | | Release date: | 2016-01-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structure of iron saturated C-lobe of bovine lactoferrin at pH 6.8 indicates a weakening of iron coordination
Proteins, 84, 2016
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