6SZE
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1JPZ
| Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A. | Deposit date: | 2001-08-03 | Release date: | 2001-11-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Pivotal role of water in the mechanism of P450BM-3. Biochemistry, 40, 2001
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6SZJ
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4LX4
| Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2013-07-29 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes. Acta Crystallogr D Struct Biol, 75, 2019
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6JAU
| The complex structure of Pseudomonas aeruginosa MucA/MucB. | Descriptor: | CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2020-08-19 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa. Commun Biol, 3, 2020
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4N19
| Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12 | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | Authors: | Mustafi, S.M, Brecher, M.B, Zhang, J, Li, H.M, Lemaster, D.M, Hernandez, G. | Deposit date: | 2013-10-03 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis of conformational transitions in the active site and 80's loop in the FK506-binding protein FKBP12. Biochem.J., 458, 2014
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3F4M
| Crystal structure of TIPE2 | Descriptor: | CHLORIDE ION, Tumor necrosis factor, alpha-induced protein 8-like protein 2 | Authors: | Zhang, X, Wang, J, Shi, Y. | Deposit date: | 2008-11-01 | Release date: | 2009-03-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Crystal structure of TIPE2 provides insights into immune homeostasis Nat.Struct.Mol.Biol., 16, 2009
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6JJ3
| BRD4 in complex with 138A | Descriptor: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | Deposit date: | 2019-02-25 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.718 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J.Med.Chem., 62, 2019
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5UAE
| Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Trigonal Form) | Descriptor: | CITRATE ANION, Putative integrase | Authors: | Gupta, K, Sharp, R, Yuan, J.B, Van Duyne, G.D. | Deposit date: | 2016-12-19 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Coiled-coil interactions mediate serine integrase directionality. Nucleic Acids Res., 45, 2017
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5UDO
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6IM6
| Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-22 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMT
| Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6JLP
| XFEL structure of cyanobacterial photosystem II (3F state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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6JLN
| XFEL structure of cyanobacterial photosystem II (1F state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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7ERO
| Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3 | Descriptor: | D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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7ERN
| Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3 | Descriptor: | D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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7ERM
| Crystal structure of D-allulose 3-epimerase from Agrobacterium sp. SUL3 | Descriptor: | D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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1K3N
| NMR Structure of the FHA1 Domain of Rad53 in Complex with a Rad9-derived Phosphothreonine (at T155) Peptide | Descriptor: | DNA repair protein Rad9, Protein Kinase SPK1 | Authors: | Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D. | Deposit date: | 2001-10-03 | Release date: | 2001-12-05 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53. J.Mol.Biol., 314, 2001
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1K3Q
| NMR structure of the FHA1 Domain of Rad53 in Complex with a Rad9-derived Phosphothreonine (at T192) Peptide | Descriptor: | DNA repair protein Rad9, Protein Kinase SPK1 | Authors: | Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D. | Deposit date: | 2001-10-03 | Release date: | 2001-12-05 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53. J.Mol.Biol., 314, 2001
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7FFM
| Human serum transferrin with five osmium binding sites | Descriptor: | MALONATE ION, NITRILOTRIACETIC ACID, OSMIUM ION, ... | Authors: | Wang, M, Sun, H. | Deposit date: | 2021-07-23 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake. J.Inorg.Biochem., 234, 2022
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7FFU
| Osmium-bound human serum transferrin | Descriptor: | FE (III) ION, MALONATE ION, OSMIUM ION, ... | Authors: | Wang, M, Sun, H. | Deposit date: | 2021-07-23 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake. J.Inorg.Biochem., 234, 2022
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6IO6
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7MF1
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 47D1 Fab heavy chain, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2021-04-08 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2. Cell Rep, 35, 2021
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6P3P
| Crystal structure of Mcl-1 in complex with compound 65 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | Authors: | Toms, A.V, Follows, B. | Deposit date: | 2019-05-24 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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7TYV
| Structure of Lassa Virus glycoprotein (Josiah) bound to Fab 25.10C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 25.10C Fab Heavy Chain, ... | Authors: | Enriquez, A.S, Hastie, K.M. | Deposit date: | 2022-02-14 | Release date: | 2022-06-01 | Last modified: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Delineating the mechanism of anti-Lassa virus GPC-A neutralizing antibodies. Cell Rep, 39, 2022
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