5E5K
 
 | | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3 | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease | | Authors: | Kovalevsky, A.Y, Das, A. | | Deposit date: | 2015-10-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION | | Cite: | Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
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6L1L
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6L2C
 | | Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase in complex with CoA | | Descriptor: | Acetyl-CoA-acetyltransferase, putative, COENZYME A | | Authors: | Zhang, Y, Wei, W, Raimi, O.G, Ferenbach, A.T, Fang, W. | | Deposit date: | 2019-10-03 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Aspergillus fumigatus Mitochondrial Acetyl Coenzyme A Acetyltransferase as an Antifungal Target.
Appl.Environ.Microbiol., 86, 2020
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6L39
 | | Cytochrome P450 107G1 (RapN) | | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | | Deposit date: | 2019-10-10 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
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6L0S
 | | Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with L-Cysteine | | Descriptor: | (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO | | Authors: | Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T. | | Deposit date: | 2019-09-26 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
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2RJC
 | | Crystal structure of L3MBTL1 protein in complex with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION | | Authors: | Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-10-14 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
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6LAE
 | | Crystal structure of the DNA-binding domain of human XPA in complex with DNA | | Descriptor: | DNA (5'-D(P*GP*CP*AP*TP*CP*TP*CP*GP*CP*CP*T)-3'), DNA (5'-D(P*TP*GP*GP*CP*GP*AP*GP*AP*TP*GP*C)-3'), DNA repair protein complementing XP-A cells, ... | | Authors: | Lian, F.M, Yang, X, Jiang, Y.L, Yang, F, Li, C, Yang, W, Qian, C. | | Deposit date: | 2019-11-12 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | New structural insights into the recognition of undamaged splayed-arm DNA with a single pair of non-complementary nucleotides by human nucleotide excision repair protein XPA.
Int.J.Biol.Macromol., 148, 2020
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6L7D
 | | Mycobacterium tuberculosis enolase mutant - S42A | | Descriptor: | 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ... | | Authors: | Ahmad, M, Jha, B, Tiwari, S, Dwivedy, A, Biswal, B.K. | | Deposit date: | 2019-11-01 | | Release date: | 2020-11-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
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6LHH
 | | Crystal structure of chicken 8mer-BF2*1501 | | Descriptor: | ARG-ARG-ARG-GLU-GLN-THR-ASP-TYR, Beta-2-microglobulin, MHC class I | | Authors: | Liu, Y.J, Xia, C. | | Deposit date: | 2019-12-08 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020
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6LI1
 | | Crystal structure of GPR52 ligand free form with flavodoxin fusion | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | | Deposit date: | 2019-12-10 | | Release date: | 2020-02-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
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6LGO
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4UCR
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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2RJF
 | | Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 12-30), orthorhombic form I | | Descriptor: | Histone H4, Lethal(3)malignant brain tumor-like protein | | Authors: | Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-10-14 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
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4WBF
 | | Acinetobacter baumannii SDF NDK | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Hu, Y, Liu, Y. | | Deposit date: | 2014-09-03 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural and Functional Characterization of Acinetobacter baumannii Nucleoside Diphosphate Kinase
Prog.Biochem.Biophys., 42, 2015
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2RJE
 | | Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 17-25), orthorhombic form II | | Descriptor: | CHLORIDE ION, Histone H4, Lethal(3)malignant brain tumor-like protein | | Authors: | Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-10-14 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
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6AVJ
 | | Crystal structure of human Mitochondrial inner NEET protein (MiNT)/CISD3 | | Descriptor: | CDGSH iron-sulfur domain-containing protein 3, mitochondrial, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Lipper, C.H, Karmi, O, Sohn, Y.S, Darash-Yahana, M, Lammert, H, Song, L, Liu, A, Mittler, R, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | | Deposit date: | 2017-09-02 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the human monomeric NEET protein MiNT and its role in regulating iron and reactive oxygen species in cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5CAX
 | | CRYSTAL STRUCTURE OF METHANOSARCINA ACETIVORANS METHANOREDOXIN | | Descriptor: | ACETIC ACID, CADMIUM ION, Glutaredoxin, ... | | Authors: | Yennawar, N.H, Yennawar, H.P, Ferry, G.J. | | Deposit date: | 2015-06-30 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Structural and Biochemical Characterizations of Methanoredoxin from Methanosarcina acetivorans, a Glutaredoxin-Like Enzyme with Coenzyme M-Dependent Protein Disulfide Reductase Activity.
Biochemistry, 55, 2016
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5EZW
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6ATL
 | | Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox | | Descriptor: | CITRIC ACID, Potassium channel toxin alpha-KTx 4.2, SULFATE ION | | Authors: | Gewe, M.M, Rupert, P, Strong, R.K. | | Deposit date: | 2017-08-29 | | Release date: | 2018-02-28 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
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6ATM
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2VKL
 | | X-ray crystal structure of the intracellular Chorismate mutase from Mycobactrerium Tuberculosis in complex with malate | | Descriptor: | D-MALATE, RV0948C/MT0975 | | Authors: | Okvist, M, Roderer, K, Sasso, S, Kast, P, Krengel, U. | | Deposit date: | 2007-12-20 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and Function of a Complex between Chorismate Mutase and Dahp Synthase: Efficiency Boost for the Junior Partner.
Embo J., 28, 2009
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4W4X
 | | JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | Descriptor: | 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | Deposit date: | 2014-08-15 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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5F23
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2UXF
 | | Pseudoazurin with engineered amicyanin ligand loop, oxidized form, pH 5.5 | | Descriptor: | CHLORIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Velarde, M, Huber, R, Yanagisawa, S, Dennison, C, Messerschmidt, A. | | Deposit date: | 2007-03-28 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Influence of Loop Shortening on the Metal Binding Site of Cupredoxin Pseudoazurin.
Biochemistry, 46, 2007
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2VMA
 | | The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae | | Descriptor: | CALCIUM ION, GENERAL SECRETION PATHWAY PROTEIN F, IODIDE ION | | Authors: | Abendroth, J, Korotkov, K.V, Mitchell, D.D, Kreger, A, Hol, W.G.J. | | Deposit date: | 2008-01-25 | | Release date: | 2009-02-10 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Three-Dimensional Structure of the Cytoplasmic Domains of Epsf from the Type 2 Secretion System of Vibrio Cholerae.
J.Struct.Biol., 166, 2009
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