6G5W
| Crystal Structure of KDM4A with compound YP-03-038 | Descriptor: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-03-30 | Release date: | 2019-04-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. J.Med.Chem., 64, 2021
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6HIB
| The ATAD2 bromodomain in complex with compound 14 | Descriptor: | 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2018-08-29 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
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6FXX
| Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal, Hg2+ Soak | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | Deposit date: | 2018-03-09 | Release date: | 2018-08-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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6FXY
| Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal - Structure from long-wavelength S-SAD | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | Deposit date: | 2018-03-09 | Release date: | 2018-08-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.138 Å) | Cite: | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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6Y9C
| The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer | Descriptor: | CARNITINE, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | Deposit date: | 2020-03-06 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site. Febs J., 2023
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7V4G
| Crystal structure of human ALKBH5 in complex with m6A-containing ssRNA | Descriptor: | GLYCEROL, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | Deposit date: | 2021-08-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes. Nucleic Acids Res., 50, 2022
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6G2H
| Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) core at 4.6 A resolution | Descriptor: | Acetyl-CoA carboxylase 1 | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | Deposit date: | 2018-03-23 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
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7V92
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7V91
| Crystal Structure of the Catalytic Domain of a Family GH19 Chitinase from Gazyumaru, Ficus microcarpa | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Kozome, D, Kubota, T, Ishikawa, K. | Deposit date: | 2021-08-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Analysis and Construction of a Thermostable Antifungal Chitinase. Appl.Environ.Microbiol., 88, 2022
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6Y3C
| Human COX-1 Crystal Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Prostaglandin G/H synthase 1, ... | Authors: | Miciaccia, M, Belviso, B.D, Iaselli, M, Ferorelli, S, Perrone, M.G, Caliandro, R, Scilimati, A. | Deposit date: | 2020-02-18 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.361 Å) | Cite: | Three-dimensional structure of human cyclooxygenase (hCOX)-1. Sci Rep, 11, 2021
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6YBX
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6X6P
| Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C. | Deposit date: | 2020-05-28 | Release date: | 2020-06-10 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis. Biorxiv, 2020
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6G2D
| Citrate-induced acetyl-CoA carboxylase (ACC-Cit) filament at 5.4 A resolution | Descriptor: | Acetyl-CoA carboxylase 1 | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | Deposit date: | 2018-03-23 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
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7UMP
| CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, Egl nine homolog 1, FE (II) ION, ... | Authors: | Davie, D.R, Abendroth, J, Boyd, J. | Deposit date: | 2022-04-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia. J.Pharmacol.Exp.Ther., 383, 2022
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6G4Y
| Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | Descriptor: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | Deposit date: | 2018-03-28 | Release date: | 2018-07-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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7NSE
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, ADMA COMPLEX | Descriptor: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-01-13 | Release date: | 2002-05-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To be Published
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8S5Y
| High pH (8.0) as-isolated MSOX movie series dataset 40 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [14 MGy] | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-02-26 | Release date: | 2024-07-24 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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6YVW
| HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with monocyclic BB-328 | Descriptor: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid, Egl nine homolog 1, FE (III) ION, ... | Authors: | Chowdhury, R, Banerji, B, Schofield, C.J. | Deposit date: | 2020-04-28 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2. Sci Rep, 10, 2020
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7VW7
| Crystal structure of the 2 ADP-AlF4-bound V1 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Suzuki, K, Shekhar, M, Gupta, C, Singharoy, A, Murata, T. | Deposit date: | 2021-11-09 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.818 Å) | Cite: | Revealing a Hidden Intermediate of Rotatory Catalysis with X-ray Crystallography and Molecular Simulations. Acs Cent.Sci., 8, 2022
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6G5X
| Crystal Structure of KDM4A with compound YP-02-145 | Descriptor: | 1,2-ETHANEDIOL, 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid, CITRIC ACID, ... | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-03-30 | Release date: | 2019-04-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. J.Med.Chem., 64, 2021
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6Z1T
| MAP3K14 (NIK) in complex with 4S/3694 | Descriptor: | 4S/3694, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | Deposit date: | 2020-05-14 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2, 2020
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8R5T
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6YV7
| Mannosyltransferase PcManGT from Pyrobaculum calidifontis | Descriptor: | Glycosyl transferase, family 2 | Authors: | Divne, C, Rosaria, G. | Deposit date: | 2020-04-28 | Release date: | 2020-07-22 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Transmembrane Crenarchaeal Mannosyltransferase Is Involved in N-Glycan Biosynthesis and Displays an Unexpected Minimal Cellulose-Synthase-like Fold. J.Mol.Biol., 432, 2020
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6FXM
| Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Mn2+ | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | Deposit date: | 2018-03-09 | Release date: | 2018-08-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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7V9X
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