5CPG
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![BU of 5cpg by Molmil](/molmil-images/mine/5cpg) | R-Hydratase PhaJ1 from Pseudomonas aeruginosa in the unliganded form | Descriptor: | (R)-specific enoyl-CoA hydratase, GLYCEROL | Authors: | Tsuge, T, Sato, S, Hiroe, A, Ishizuka, K, Kanazawa, H, Kanagarajan, S, Shiro, Y, Hisano, T. | Deposit date: | 2015-07-21 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Contribution of the Distal Pocket Residue to the Acyl-Chain-Length Specificity of (R)-Specific Enoyl-Coenzyme A Hydratases from Pseudomonas spp. Appl.Environ.Microbiol., 81, 2015
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3EBT
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6YKI
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![BU of 6yki by Molmil](/molmil-images/mine/6yki) | Crystal structure of YTHDC1 with compound DHU_DC1_092 | Descriptor: | SULFATE ION, YTHDC1, ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YQD
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![BU of 6yqd by Molmil](/molmil-images/mine/6yqd) | Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.41 A in P212121 space group | Descriptor: | Histidine triad nucleotide-binding protein 2, mitochondrial, POTASSIUM ION | Authors: | Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. | Deposit date: | 2020-04-16 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.407 Å) | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
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3WDM
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![BU of 3wdm by Molmil](/molmil-images/mine/3wdm) | Crystal structure of 4-phosphopantoate-beta-alanine ligase from Thermococcus kodakarensis | Descriptor: | 4-phosphopantoate--beta-alanine ligase, ADENOSINE | Authors: | Kishimoto, A, Kita, A, Ishibashi, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. | Deposit date: | 2013-06-19 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of phosphopantothenate synthetase from Thermococcus kodakarensis Proteins, 82, 2014
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6YVP
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![BU of 6yvp by Molmil](/molmil-images/mine/6yvp) | Human histidine triad nucleotide-binding protein 2 (hHINT2) complexed with dGMP and refined to 2.77 A | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 2, mitochondrial | Authors: | Dolot, R.D, Krakowiak, A, Nawrot, B.C. | Deposit date: | 2020-04-28 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
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5IM8
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1YFF
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![BU of 1yff by Molmil](/molmil-images/mine/1yff) | STRUCTURE OF HUMAN CARBONMONOXYHEMOGLOBIN C (BETA E6K): TWO QUATERNARY STATES (R2 and R3) IN ONE CRYSTAL | Descriptor: | CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ... | Authors: | Patskovska, L, Patskovsky, Y, Hirsch, R.E, Almo, S.C. | Deposit date: | 2004-12-31 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanism of Quaternary Transitions in Human Liganded Hemoglobin To be Published
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6YKJ
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![BU of 6ykj by Molmil](/molmil-images/mine/6ykj) | Crystal structure of YTHDC1 with compound DHU_DC1_125 | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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3ESK
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6YNI
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![BU of 6yni by Molmil](/molmil-images/mine/6yni) | Crystal structure of YTHDC1 with compound DHU_DC1_036 | Descriptor: | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-13 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YNL
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![BU of 6ynl by Molmil](/molmil-images/mine/6ynl) | Crystal structure of YTHDC1 with compound DHU_DC1_078 | Descriptor: | 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YNP
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![BU of 6ynp by Molmil](/molmil-images/mine/6ynp) | Crystal structure of YTHDC1 with compound T96C1 | Descriptor: | CHLORIDE ION, SULFATE ION, YTHDC1, ... | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YQM
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![BU of 6yqm by Molmil](/molmil-images/mine/6yqm) | Human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with dGMP and refined to 1.02 A | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Histidine triad nucleotide-binding protein 1 | Authors: | Dolot, R.D, Seda, A, Nawrot, B.C. | Deposit date: | 2020-04-17 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
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6YPX
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![BU of 6ypx by Molmil](/molmil-images/mine/6ypx) | Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 2.11 A in C2221 space group | Descriptor: | CACODYLATE ION, GLYCEROL, Histidine triad nucleotide-binding protein 2, ... | Authors: | Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. | Deposit date: | 2020-04-16 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
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6HZV
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![BU of 6hzv by Molmil](/molmil-images/mine/6hzv) | HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND | Descriptor: | 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile, Tyrosine-protein kinase JAK3 | Authors: | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases. J.Med.Chem., 62, 2019
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1XY3
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![BU of 1xy3 by Molmil](/molmil-images/mine/1xy3) | Urate oxidase from aspergillus flavus complexed with guanine | Descriptor: | GUANINE, Uricase | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | Deposit date: | 2004-11-09 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site. Acta Crystallogr.,Sect.D, 61, 2005
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1MW4
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1EXA
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![BU of 1exa by Molmil](/molmil-images/mine/1exa) | ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE ACTIVE R-ENANTIOMER BMS270394. | Descriptor: | DODECYL-ALPHA-D-MALTOSIDE, R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA-2 | Authors: | Klaholz, B.P, Mitschler, A, Belema, M, Zusi, C, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-05-02 | Release date: | 2000-06-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARgamma. Proc.Natl.Acad.Sci.USA, 97, 2000
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1MU0
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![BU of 1mu0 by Molmil](/molmil-images/mine/1mu0) | Crystal Structure of the Tricorn Interacting Factor F1 Complex with PCK | Descriptor: | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL, Proline iminopeptidase | Authors: | Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H. | Deposit date: | 2002-09-23 | Release date: | 2002-11-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism Embo J., 21, 2002
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3EZ0
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2AAM
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1F8N
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1IAD
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![BU of 1iad by Molmil](/molmil-images/mine/1iad) | REFINED 1.8 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF ASTACIN, A ZINC-ENDOPEPTIDASE FROM THE CRAYFISH ASTACUS ASTACUS L. STRUCTURE DETERMINATION, REFINEMENT, MOLECULAR STRUCTURE AND COMPARISON TO THERMOLYSIN | Descriptor: | ASTACIN | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined 1.8 A X-ray crystal structure of astacin, a zinc-endopeptidase from the crayfish Astacus astacus L. Structure determination, refinement, molecular structure and comparison with thermolysin. J.Mol.Biol., 229, 1993
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1IAC
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![BU of 1iac by Molmil](/molmil-images/mine/1iac) | REFINED 1.8 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF ASTACIN, A ZINC-ENDOPEPTIDASE FROM THE CRAYFISH ASTACUS ASTACUS L. STRUCTURE DETERMINATION, REFINEMENT, MOLECULAR STRUCTURE AND COMPARISON WITH THERMOLYSIN | Descriptor: | ASTACIN, MERCURY (II) ION | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Refined 1.8 A X-ray crystal structure of astacin, a zinc-endopeptidase from the crayfish Astacus astacus L. Structure determination, refinement, molecular structure and comparison with thermolysin. J.Mol.Biol., 229, 1993
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