5DH5
 
 | | PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine | | Descriptor: | MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ... | | Authors: | Yan, Y. | | Deposit date: | 2015-08-29 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
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5TU5
 | | PagF prenyltransferase with Tyr-Tyr-Tyr and DMSPP | | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, PagF prenyltransferase, ... | | Authors: | Hao, Y, Nair, S.K. | | Deposit date: | 2016-11-04 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for the broad substrate selectivity of a peptide prenyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5YE8
 | | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | | Descriptor: | N-[3,4-bis(fluoranyl)phenyl]methanesulfonamide, Platelet-activating factor acetylhydrolase | | Authors: | Liu, Q.F, Xu, Y.C. | | Deposit date: | 2017-09-15 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
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5Y6T
 | | Crystal structure of endo-1,4-beta-mannanase from Eisenia fetida | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, endo-1,4-beta-mannanase | | Authors: | Hirano, Y, Ueda, M, Tamada, T. | | Deposit date: | 2017-08-15 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Gene cloning, expression, and X-ray crystallographic analysis of a beta-mannanase from Eisenia fetida.
Enzyme.Microb.Technol., 117, 2018
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5CRB
 | | Crystal Structure of SdeA DUB | | Descriptor: | SdeA | | Authors: | Sheedlo, M.J, Qiu, J, Luo, Z.Q, Das, C. | | Deposit date: | 2015-07-22 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6V7D
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10 | | Descriptor: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) | | Authors: | Palte, R.L, Lesburg, C.A. | | Deposit date: | 2019-12-08 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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5JR8
 | | Disposal of Iron by a Mutant form of Siderocalin NGAL | | Descriptor: | GLYCEROL, Neutrophil gelatinase-associated lipocalin, PHOSPHATE ION | | Authors: | Rupert, P.B, Strong, R.K, Barasch, J, Hollman, M, Deng, R, Hod, E.A, Abergel, R, Allred, B, Xu, K, Darrah, S, Tekabe, Y, Perlstein, A, Bruck, E, Stauber, J, Corbin, K, Buchen, C, Slavkovich, V, Graziano, J, Spitalnik, S, Qiu, A. | | Deposit date: | 2016-05-05 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Disposal of iron by a mutant form of lipocalin 2.
Nat Commun, 7, 2016
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5YNC
 | | Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM beta-cyclodextrin | | Descriptor: | ACETATE ION, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | | Authors: | Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
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8PW7
 | | A respirasome from murine liver | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-07-19 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
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6V51
 | | Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO) | | Descriptor: | 4-amino-2,2,6,6-tetramethylpiperidin-1-ol, Endolysin | | Authors: | Liu, J, Morizumi, T, Ou, W.L, Wang, L, Ernst, O.P. | | Deposit date: | 2019-12-02 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Genetically Encoded Quinone Methides Enabling Rapid, Site-Specific, and Photocontrolled Protein Modification with Amine Reagents.
J.Am.Chem.Soc., 142, 2020
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3T27
 | | Orthorhombic trypsin (bovine) in the presence of betaine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Venkat, M, Saxby, C, Cahn, J, Juers, D. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
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8PW6
 | | C respirasome from murine liver | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-07-19 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
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5NER
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8PW5
 | | CS respirasome from murine liver | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-07-19 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
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6VAX
 | | Crystal structure of human SDHA-SDHAF2 assembly intermediate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | Deposit date: | 2019-12-18 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | The roles of SDHAF2 and dicarboxylate in covalent flavinylation of SDHA, the human complex II flavoprotein.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5TPG
 | | Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors | | Descriptor: | (3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETONITRILE, ... | | Authors: | Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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2Z8W
 | | Structure of an IgNAR-AMA1 complex | | Descriptor: | Apical membrane antigen 1, New antigen receptor variable domain | | Authors: | Streltsov, V.A, Henderson, K.A, Batchelor, A.H, Coley, A.M, Nuttall, S.D. | | Deposit date: | 2007-09-11 | | Release date: | 2007-11-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of an IgNAR-AMA1 Complex: Targeting a Conserved Hydrophobic Cleft Broadens Malarial Strain Recognition
Structure, 15, 2007
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5CRA
 | | Structure of the SdeA DUB Domain | | Descriptor: | METHYL 4-AMINOBUTANOATE, Polyubiquitin-B, SULFATE ION, ... | | Authors: | Sheedlo, M.J, Qiu, J, Luo, Z.Q, Das, C. | | Deposit date: | 2015-07-22 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6VCM
 | | Crystal structure of E.coli RppH-DapF in complex with GTP, Mg2+ and F- | | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ... | | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | | Deposit date: | 2019-12-21 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
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8QCU
 | | Lysozyme covalently bound to fac-[Re(CO)3-imidazole] complex, incubated for 38 weeks. | | Descriptor: | BROMIDE ION, CHLORIDE ION, IMIDAZOLE, ... | | Authors: | Jacobs, F.J.F, Brink, A, Helliwell, J.R. | | Deposit date: | 2023-08-28 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Time-series analysis of rhenium(I) organometallic covalent binding to a model protein for drug development.
Iucrj, 11, 2024
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5TZ1
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1) | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Hargrove, T, Wawrzak, Z, Lepesheva, G. | | Deposit date: | 2016-11-21 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.
J. Biol. Chem., 292, 2017
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5CXA
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with a carboxylate inhibitor related to RXP470 | | Descriptor: | (R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-07-28 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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5KCS
 | | Cryo-EM structure of the Escherichia coli 70S ribosome in complex with antibiotic Evernimycin, mRNA, TetM and P-site tRNA at 3.9A resolution | | Descriptor: | (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Arenz, S, Juette, M.F, Graf, M, Nguyen, F, Huter, P, Polikanov, Y.S, Blanchard, S.C, Wilson, D.N. | | Deposit date: | 2016-06-06 | | Release date: | 2016-08-17 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structures of the orthosomycin antibiotics avilamycin and evernimicin in complex with the bacterial 70S ribosome.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6VDJ
 | | Crystal structure of ancestral apicomplexan lactate dehydrogenase with sulfate and NADH4. | | Descriptor: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SULFATE ION, lactate dehydrogenase | | Authors: | Theobald, D.L, Wirth, J.D, Classen, S, Perlmutter, N. | | Deposit date: | 2019-12-27 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of Bifunctionality in an Ancestral Apicomplexan Malate/Lactate Dehydrogenase
To Be Published
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5TQO
 | | Lipoxygenase-1 (soybean) L546A/L754A mutant at 300K | | Descriptor: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | | Authors: | Poss, E.M, Fraser, J.S, Gee, C. | | Deposit date: | 2016-10-24 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
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