9CYR
 
 | | Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K) | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
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6GRP
 | | Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | | Descriptor: | 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-06-12 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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3V8B
 | | Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021 | | Descriptor: | Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-12-22 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021
To be Published
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9B70
 | | Cryo-EM structure of MraY in complex with analogue 2 | | Descriptor: | (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Hao, A, Lee, S.-Y. | | Deposit date: | 2024-03-26 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
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5OB4
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5A49
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3M3H
 | | 1.75 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' | | Descriptor: | CHLORIDE ION, Orotate phosphoribosyltransferase | | Authors: | Halavaty, A.S, Shuvalova, L, Minasov, G, Winsor, J, Dubrovska, I, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-03-09 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 1.75 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor'
To be Published
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9B34
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9FB2
 | | Gcase in complex with small molecule inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-11 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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9BNQ
 | | N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ... | | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | Deposit date: | 2024-05-02 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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5DK9
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol | | Descriptor: | 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-03 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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1JJX
 | | Solution Structure of Recombinant Human Brain-type Fatty acid Binding Protein | | Descriptor: | BRAIN-TYPE FATTY ACID BINDING PROTEIN | | Authors: | Rademacher, M, Zimmerman, A.W, Rueterjans, H, Veerkamp, J.H, Luecke, C. | | Deposit date: | 2001-07-10 | | Release date: | 2002-10-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of fatty acid-binding protein from human brain.
Mol.Cell.Biochem., 239, 2002
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9AT3
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with an ethylcyclohexyl 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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5KSH
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4L1J
 | | Three dimensional structure of mutant D143A of human HD domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, HD domain-containing protein 2, ... | | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, O, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-03 | | Release date: | 2013-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.824 Å) | | Cite: | Three dimensional structure of mutant D143A of human HD
domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723
To be Published
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8YT4
 | | Structure of Aquifex aeolicus Lumazine Synthase by Cryo-Electron Microscopy to 1.42 Angstrom Resolution | | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | | Authors: | Savva, C.G, Sobhy, M.A, De Biasio, A, Hamdan, S.M. | | Deposit date: | 2024-03-24 | | Release date: | 2024-04-10 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (1.42 Å) | | Cite: | Structure of Aquifex aeolicus lumazine synthase by cryo-electron microscopy to 1.42 angstrom resolution.
Iucrj, 11, 2024
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5ZZ1
 | | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | Authors: | Yuzugullu Karakus, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 74, 2018
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5KV0
 | | Human cyclophilin A at 278K, Data set 2 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2016-07-13 | | Release date: | 2016-08-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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9GK2
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5KVS
 | | Substrate Analog and NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica | | Descriptor: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Meneely, K.M, Lamb, A.L. | | Deposit date: | 2016-07-15 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis.
Biochemistry, 55, 2016
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8ZOZ
 | | Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution. | | Descriptor: | ADENOSINE MONOPHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | | Authors: | Pahuja, P, Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-05-29 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution.
To Be Published
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9C3U
 | | Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTTTAC as recognition sequence | | Descriptor: | DNA1, DNA2, Methyltransferase, ... | | Authors: | Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K. | | Deposit date: | 2024-06-02 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
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6TGU
 | | Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3 | | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | Deposit date: | 2019-11-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.833 Å) | | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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4OJA
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6ADZ
 | | LdCoroCC Double mutant- I486A-L493A | | Descriptor: | Coronin-like protein, SULFATE ION | | Authors: | Karade, S.S, Ansari, A, Pratap, J.V. | | Deposit date: | 2018-08-02 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.431 Å) | | Cite: | Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain.
Int.J.Biol.Macromol., 143, 2020
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