6KZT
| Crystal structure of cytochrome P450mel 107F1 with biaryl coupling reactivity | Descriptor: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | Deposit date: | 2019-09-25 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity To Be Published
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6L2G
| Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase | Descriptor: | Acetyl-CoA-acetyltransferase, putative | 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 (2.41 Å) | Cite: | Aspergillus fumigatus Mitochondrial Acetyl Coenzyme A Acetyltransferase as an Antifungal Target. Appl.Environ.Microbiol., 86, 2020
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6L1C
| Crystal Structure Of of PHF20L1 Tudor1 Y24L mutant | Descriptor: | GLYCEROL, PHD finger protein 20-like protein 1, SULFATE ION | Authors: | Lv, M.Q, Gao, J. | Deposit date: | 2019-09-28 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1. J Phys Chem Lett, 11, 2020
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4UCV
| Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, 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 (2.6 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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6L6J
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6L9S
| Crystal structure of Na-dithionite reduced auracyanin from photosynthetic bacterium Roseiflexus castenholzii | Descriptor: | Blue (Type 1) copper domain protein, COPPER (I) ION | Authors: | Wang, C, Zhang, C.Y, Min, Z.Z, Xu, X.L. | Deposit date: | 2019-11-10 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii. Photosyn. Res., 143, 2020
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6L8V
| membrane-bound Bax helix2-helix5 domain | Descriptor: | Apoptosis regulator BAX | Authors: | OuYang, B, Lv, F. | Deposit date: | 2019-11-07 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane. Embo J., 40, 2021
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6KQP
| NSD1 SET domain in complex with SAM | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2019-08-18 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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6LAW
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6LD8
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6KXD
| The ishigamide ketosynthase/chain length factor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ... | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | Deposit date: | 2019-09-10 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase. Nat.Chem.Biol., 16, 2020
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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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