8EMR
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![BU of 8emr by Molmil](/molmil-images/mine/8emr) | Cryo-EM structure of human liver glucosidase II | Descriptor: | CALCIUM ION, Glucosidase 2 subunit beta, Neutral alpha-glucosidase AB, ... | Authors: | Su, C, Lyu, M, Zhang, Z, Yu, E.W. | Deposit date: | 2022-09-28 | Release date: | 2023-05-10 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | High-resolution structural-omics of human liver enzymes. Cell Rep, 42, 2023
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8EW1
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![BU of 8ew1 by Molmil](/molmil-images/mine/8ew1) | Structure of Bacple_01703-E145L | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ulaganathan, T, Cygler, M. | Deposit date: | 2022-10-21 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations Biorxiv, 2023
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5MAJ
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![BU of 5maj by Molmil](/molmil-images/mine/5maj) | CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L1, ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-11-03 | Release date: | 2017-01-11 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket. ChemMedChem, 12, 2017
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8EMS
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![BU of 8ems by Molmil](/molmil-images/mine/8ems) | Cryo-EM structure of human liver glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, liver form, PYRIDOXAL-5'-PHOSPHATE | Authors: | Su, C, Lyu, M, Zhang, Z, Yu, E.W. | Deposit date: | 2022-09-28 | Release date: | 2023-05-10 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | High-resolution structural-omics of human liver enzymes. Cell Rep, 42, 2023
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3MPV
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![BU of 3mpv by Molmil](/molmil-images/mine/3mpv) | Structure of EUTL in the zinc-induced open form | Descriptor: | BETA-MERCAPTOETHANOL, Ethanolamine utilization protein eutL, ZINC ION | Authors: | Sagermann, M, Takenoya, M, Nikolakakis, K. | Deposit date: | 2010-04-27 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic insights into the pore structures and mechanisms of the EutL and EutM shell proteins of the ethanolamine-utilizing microcompartment of Escherichia coli. J.Bacteriol., 192, 2010
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7JOY
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![BU of 7joy by Molmil](/molmil-images/mine/7joy) | |
8EMT
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![BU of 8emt by Molmil](/molmil-images/mine/8emt) | Cryo-EM analysis of the human aldehyde oxidase from liver | Descriptor: | Aldehyde oxidase, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Su, C, Lyu, M, Zhang, Z, Yu, E.W. | Deposit date: | 2022-09-28 | Release date: | 2023-05-10 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | High-resolution structural-omics of human liver enzymes. Cell Rep, 42, 2023
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2BQ6
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![BU of 2bq6 by Molmil](/molmil-images/mine/2bq6) | Crystal structure of factor Xa in complex with 21 | Descriptor: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | Deposit date: | 2005-04-27 | Release date: | 2006-04-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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5UFR
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![BU of 5ufr by Molmil](/molmil-images/mine/5ufr) | Structure of RORgt bound to | Descriptor: | (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma | Authors: | Spurlino, J, Abad, M. | Deposit date: | 2017-01-05 | Release date: | 2017-04-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.068 Å) | Cite: | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t. Bioorg. Med. Chem. Lett., 27, 2017
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2RCK
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![BU of 2rck by Molmil](/molmil-images/mine/2rck) | Crystal structure of juvenile hormone binding protein from Galleria mellonella hemolymph | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Juvenile hormone binding protein, ... | Authors: | Kolodziejczyk, R, Bujacz, G, Jakob, M, Ozyhar, A, Jaskolski, M, Kochman, M. | Deposit date: | 2007-09-20 | Release date: | 2008-03-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Insect Juvenile Hormone Binding Protein Shows Ancestral Fold Present in Human Lipid-Binding Proteins. J.Mol.Biol., 377, 2008
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1IZI
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![BU of 1izi by Molmil](/molmil-images/mine/1izi) | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | Descriptor: | CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | Deposit date: | 2002-10-02 | Release date: | 2002-12-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains J.MOL.BIOL., 324, 2002
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7CIO
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![BU of 7cio by Molmil](/molmil-images/mine/7cio) | Molecular interactions of cytoplasmic region of CTLA-4 with SH2 domains of PI3-kinase | Descriptor: | Cytotoxic T-lymphocyte protein 4, Phosphatidylinositol 3-kinase regulatory subunit alpha | Authors: | Iiyama, M, Numoto, N, Ogawa, S, Kuroda, M, Morii, H, Abe, R, Ito, N, Oda, M. | Deposit date: | 2020-07-08 | Release date: | 2020-12-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Molecular interactions of the CTLA-4 cytoplasmic region with the phosphoinositide 3-kinase SH2 domains. Mol.Immunol., 131, 2021
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5W90
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![BU of 5w90 by Molmil](/molmil-images/mine/5w90) | FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with unknown ligand | Descriptor: | FEZ-1 protein, GLYCEROL, SULFATE ION, ... | Authors: | Garcia-Saez, I, Mercuri, P.S, Kahn, R, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Papamicael, C, Frere, J.M, Galleni, M, Dideberg, O. | Deposit date: | 2017-06-22 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril. J. Mol. Biol., 325, 2003
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8OR9
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6GXA
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![BU of 6gxa by Molmil](/molmil-images/mine/6gxa) | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 | Descriptor: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-06-27 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13, 2018
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8P1V
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![BU of 8p1v by Molmil](/molmil-images/mine/8p1v) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound 2 | Descriptor: | 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ... | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | Deposit date: | 2023-05-12 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorg.Med.Chem.Lett., 94, 2023
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5LD8
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![BU of 5ld8 by Molmil](/molmil-images/mine/5ld8) | |
5LOF
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![BU of 5lof by Molmil](/molmil-images/mine/5lof) | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | Deposit date: | 2016-08-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models. Nature, 538, 2016
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5DJB
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![BU of 5djb by Molmil](/molmil-images/mine/5djb) | |
8ORA
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![BU of 8ora by Molmil](/molmil-images/mine/8ora) | Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester | Descriptor: | Dopa decarboxylase (Aromatic L-amino acid decarboxylase), PYRIDOXAL-5'-PHOSPHATE, TETRAETHYLENE GLYCOL, ... | Authors: | Bisello, G, Perduca, M, Bertoldi, M. | Deposit date: | 2023-04-13 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency. Protein Sci., 32, 2023
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5WFS
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![BU of 5wfs by Molmil](/molmil-images/mine/5wfs) | |
8P1W
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![BU of 8p1w by Molmil](/molmil-images/mine/8p1w) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591 | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ... | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | Deposit date: | 2023-05-12 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorg.Med.Chem.Lett., 94, 2023
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8CHB
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![BU of 8chb by Molmil](/molmil-images/mine/8chb) | Inward-facing conformation of the ABC transporter BmrA C436S/A582C cross-linked mutant | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | Authors: | Di Cesare, M, Kaplan, E, Hanssen, E, Valimehr, S, Orelle, C, Jault, J.M. | Deposit date: | 2023-02-07 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains. J.Biol.Chem., 300, 2023
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8P4H
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![BU of 8p4h by Molmil](/molmil-images/mine/8p4h) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A | Descriptor: | 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | Deposit date: | 2023-05-21 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorg.Med.Chem.Lett., 94, 2023
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2V9A
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![BU of 2v9a by Molmil](/molmil-images/mine/2v9a) | Structure of Citrate-free Periplasmic Domain of Sensor Histidine Kinase CitA | Descriptor: | SENSOR KINASE CITA | Authors: | Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S. | Deposit date: | 2007-08-23 | Release date: | 2008-03-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita. J.Mol.Biol., 377, 2008
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