5U60
 
 | | CcP gateless cavity | | Descriptor: | (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Fischer, M, Shoichet, B.K. | | Deposit date: | 2016-12-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UG2
 | | CcP gateless cavity | | Descriptor: | 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Stein, R.M, Fischer, M, Shoichet, B.K. | | Deposit date: | 2017-01-06 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5X
 | | CcP gateless cavity | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Peroxidase, THIOPHENE-3-CARBOXIMIDAMIDE | | Authors: | Fischer, M, Shoichet, B.K. | | Deposit date: | 2016-12-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5W
 | | CcP gateless cavity | | Descriptor: | 3-methylquinolin-4-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Fischer, M, Shoichet, B.K. | | Deposit date: | 2016-12-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7LXL
 | | Crystal structure of human CYP3A4 bound to the testosterone dimer | | Descriptor: | 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2021-03-04 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4.
Eur.J.Med.Chem., 220, 2021
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6CPB
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3MHE
 | | Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI) | | Descriptor: | N-PROPANOL, SULFATE ION, Steroid Delta-Isomerase | | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | | Deposit date: | 2010-04-07 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.722 Å) | | Cite: | Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI)
To be Published
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5B1L
 | | The mouse nucleosome structure containing H3t | | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ... | | Authors: | Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H. | | Deposit date: | 2015-12-08 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
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5B1M
 | | The mouse nucleosome structure containing H3.1 | | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B type 3-A, ... | | Authors: | Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H. | | Deposit date: | 2015-12-08 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
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2RRH
 | | NMR structure of vasoactive intestinal peptide in Methanol | | Descriptor: | VIP peptides | | Authors: | Umetsu, Y, Tenno, T, Goda, N, Ikegami, T, Hiroaki, H. | | Deposit date: | 2010-11-12 | | Release date: | 2011-04-06 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural difference of vasoactive intestinal peptide in two distinct membrane-mimicking environments.
Biochim.Biophys.Acta, 1814, 2011
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7WJH
 | | Crystal structure of Bcl-xL bound to the BH3 domain of human Pxt1 | | Descriptor: | Bcl-2-like protein 1, MAGNESIUM ION, Peroxisomal testis-specific protein 1, ... | | Authors: | Lim, D, Ku, B. | | Deposit date: | 2022-01-06 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Structural and biochemical analyses of Bcl-xL in complex with the BH3 domain of peroxisomal testis-specific 1.
Biochem.Biophys.Res.Commun., 625, 2022
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8FH2
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8FGZ
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8FH1
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8FGY
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8FH0
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8ABS
 | | Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | | Descriptor: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | | Deposit date: | 2022-07-04 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
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6ITS
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8F90
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8FHA
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7V25
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7V28
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6SRT
 | | Endolysine N-acetylmuramoyl-L-alanine amidase LysCS from Clostridium intestinale URNW | | Descriptor: | GLYCEROL, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ... | | Authors: | Hakansson, M, Al-Karadaghi, S, Plotka, M, Kaczorowska, A.-K, Kaczorowski, T. | | Deposit date: | 2019-09-06 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Structure and function of endolysines LysCS, LysC from Clostridium intestinale
To Be Published
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6RBF
 | | Mucin 2 D3 domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Javitt, G, Fass, D. | | Deposit date: | 2019-04-10 | | Release date: | 2019-08-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Intestinal Gel-Forming Mucins Polymerize by Disulfide-Mediated Dimerization of D3 Domains.
J.Mol.Biol., 431, 2019
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1AEL
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