5LGZ
| Structure of Photoreduced Pentaerythritol Tetranitrate Reductase | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ISOPROPYL ALCOHOL, Pentaerythritol tetranitrate reductase | Authors: | Kwon, H, Smith, O.M, Moody, P.C.E. | Deposit date: | 2016-07-08 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Combining X-ray and neutron crystallography with spectroscopy. Acta Crystallogr D Struct Biol, 73, 2017
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3K4E
| Puf3 RNA binding domain bound to Cox17 RNA 3' UTR recognition sequence site A | Descriptor: | RNA (5'-R(P*CP*UP*UP*GP*UP*AP*UP*AP*UP*A)-3'), mRNA-binding protein PUF3 | Authors: | Zhu, D, Stumpf, C.R, Krahn, J.M, Wickens, M, Hall, T.M.T. | Deposit date: | 2009-10-05 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A 5' cytosine binding pocket in Puf3p specifies regulation of mitochondrial mRNAs. Proc.Natl.Acad.Sci.USA, 106, 2009
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5KSX
| Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072 | Descriptor: | Farnesyl pyrophosphate synthase, PHOSPHATE ION, [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid | Authors: | Park, J, Matralis, A, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2016-07-10 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J. Med. Chem., 60, 2017
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6MB6
| AAC-IIIb binary with CoASH | Descriptor: | Aac(3)-IIIb protein, COENZYME A, MALONATE ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6LMQ
| Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid | Descriptor: | (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase catalytic, SULFATE ION, ... | Authors: | Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T. | Deposit date: | 2019-12-26 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold. Bioorg.Med.Chem., 28, 2020
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7TZA
| Structure of PQS Response Protein PqsE in complex with N-(4-(3-neopentylureido)phenyl)-1H-indazole-7-carboxamide | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide, ... | Authors: | Jeffrey, P.D, Taylor, I.R, Bassler, B.L. | Deposit date: | 2022-02-15 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa. Biochemistry, 61, 2022
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5MIK
| X-ray structure of carboplatin-encapsulated horse spleen apoferritin (rotating anode data) | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | Authors: | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | Deposit date: | 2016-11-28 | Release date: | 2017-03-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage. ACS Med Chem Lett, 8, 2017
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5ILM
| H64A sperm whale myoglobin with a Fe-chlorophenyl moiety | Descriptor: | (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2016-03-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
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5ILR
| H64Q sperm whale myoglobin with a Fe-chlorophenyl moiety | Descriptor: | (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2016-03-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
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3JPQ
| Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monoBromo methylene triphosphate | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | Deposit date: | 2009-09-04 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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7TV0
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7TUQ
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6MCZ
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6YZE
| Zinc metalloprotease ProA from native source | Descriptor: | ZINC ION, Zinc metalloproteinase | Authors: | Schmelz, S, Blankenfeldt, W. | Deposit date: | 2020-05-06 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation. Cell.Microbiol., 23, 2021
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5ITF
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6ZL3
| CRYSTAL STRUCTURE OF HRAS IN COMPLEX WITH COMPOUND 18 and GDP | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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4JS9
| Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, Mesoheme, Nitric oxide synthase, ... | Authors: | Hannibal, L, Page, R.C, Bolisetty, K, Yu, Z, Misra, S, Stuehr, D.J. | Deposit date: | 2013-03-22 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.784 Å) | Cite: | Kinetic and Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme To be Published
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6ZIR
| CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-26 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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5NKV
| Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 at pH 9.0 and 293 K. | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | Authors: | Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | Deposit date: | 2017-04-03 | Release date: | 2018-01-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies. ACS Catal, 7, 2017
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7VQF
| Phenol binding protein, MopR | Descriptor: | ACETATE ION, PHENOL, Phenol sensing regulator, ... | Authors: | Singh, J, Ray, S, Anand, R. | Deposit date: | 2021-10-19 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Phenol sensing in nature is modulated via a conformational switch governed by dynamic allostery. J.Biol.Chem., 298, 2022
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4GXI
| R283K DNA polymerase beta binary complex with a templating 8OG | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | Authors: | Freudenthal, B.D, Beard, W.A, Wilson, S.H. | Deposit date: | 2012-09-04 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | DNA polymerase minor groove interactions modulate mutagenic bypass of a templating 8-oxoguanine lesion. Nucleic Acids Res., 41, 2013
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5KZA
| Crystal structure of the Rous sarcoma virus matrix protein (aa 2-102). Space group I41 | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, virus matrix protein | Authors: | Kingston, R.L, Chan, J, Vogt, V.M. | Deposit date: | 2016-07-24 | Release date: | 2017-07-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties. Biophys. J., 113, 2017
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5LQ9
| CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323. | Descriptor: | 4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | Authors: | Vallee, F, Dupuy, A. | Deposit date: | 2016-08-16 | Release date: | 2017-08-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323. To Be Published
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5LIU
| Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388 | Descriptor: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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7VDN
| High resolution crystal structure of Sperm Whale Myoglobin in the carbonmonoxy form | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Shibayama, N, Sato-Tomita, A, Ishimoto, N, Park, S.Y. | Deposit date: | 2021-09-07 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | X-ray fluorescence holography of biological metal sites: Application to myoglobin. Biochem.Biophys.Res.Commun., 635, 2022
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