7F40
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![BU of 7f40 by Molmil](/molmil-images/mine/7f40) | Lysophospholipid acyltransferase LPCAT3 in a complex with Arachidonoyl-CoA | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, LPCAT3, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | Deposit date: | 2021-06-17 | Release date: | 2021-12-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3. Nat Commun, 12, 2021
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6RCF
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![BU of 6rcf by Molmil](/molmil-images/mine/6rcf) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH | Descriptor: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2019-04-11 | Release date: | 2020-05-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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6DGV
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![BU of 6dgv by Molmil](/molmil-images/mine/6dgv) | |
4UW6
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![BU of 4uw6 by Molmil](/molmil-images/mine/4uw6) | Human galectin-7 in complex with a galactose based dendron D3 | Descriptor: | DENDRON-D3, GALECTIN-7 | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | Deposit date: | 2014-08-08 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7. FEBS J., 282, 2015
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4UW4
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![BU of 4uw4 by Molmil](/molmil-images/mine/4uw4) | Human galectin-7 in complex with a galactose based dendron D2-1. | Descriptor: | DENDRON D2-1, GALECTIN-7 | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | Deposit date: | 2014-08-08 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.766 Å) | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7. FEBS J., 282, 2015
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4WCC
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![BU of 4wcc by Molmil](/molmil-images/mine/4wcc) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-04 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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4WDB
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![BU of 4wdb by Molmil](/molmil-images/mine/4wdb) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, complexed with 2'-AMP | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-08 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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4WBL
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![BU of 4wbl by Molmil](/molmil-images/mine/4wbl) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, GLYCEROL | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-03 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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6DMF
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4ZE6
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![BU of 4ze6 by Molmil](/molmil-images/mine/4ze6) | Endothiapepsin in complex with fragment B39 | Descriptor: | 1,2-ETHANEDIOL, 7-aminoheptanoic acid, ACETATE ION, ... | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | Deposit date: | 2015-04-20 | Release date: | 2016-05-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
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5MYX
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![BU of 5myx by Molmil](/molmil-images/mine/5myx) | |
4CLF
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![BU of 4clf by Molmil](/molmil-images/mine/4clf) | Crystal structure of human soluble Adenylyl Cyclase (Apo form) | Descriptor: | ACETATE ION, ADENYLATE CYCLASE TYPE 10, GLYCEROL | Authors: | Kleinboelting, S, Moniot, S, Weyand, M, Steegborn, C. | Deposit date: | 2014-01-14 | Release date: | 2014-03-05 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate. Proc.Natl.Acad.Sci.USA, 111, 2014
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4UW5
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![BU of 4uw5 by Molmil](/molmil-images/mine/4uw5) | Human galectin-7 in complex with a galactose based dendron D2-2. | Descriptor: | DENDRON D2-1, HUMAN GALECTIN-7 | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | Deposit date: | 2014-08-08 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7. FEBS J., 282, 2015
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4UW3
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![BU of 4uw3 by Molmil](/molmil-images/mine/4uw3) | Human galectin-7 in complex with a galactose based dendron D1. | Descriptor: | DENDRON-D1, HUMAN GALECTIN-7 | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | Deposit date: | 2014-08-08 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7. FEBS J., 282, 2015
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1SES
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8QPD
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![BU of 8qpd by Molmil](/molmil-images/mine/8qpd) | Structure of thioredoxin m from pea | Descriptor: | Thioredoxin M-type, chloroplastic | Authors: | Neira, J.L, Camara Artigas, A. | Deposit date: | 2023-10-01 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure, dynamics and binding of thioredoxin m from Pisum sativum. Int.J.Biol.Macromol., 262, 2024
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1SET
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1SER
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![BU of 1ser by Molmil](/molmil-images/mine/1ser) | THE 2.9 ANGSTROMS CRYSTAL STRUCTURE OF T. THERMOPHILUS SERYL-TRNA SYNTHETASE COMPLEXED WITH TRNA SER | Descriptor: | PROTEIN (SERYL-TRNA SYNTHETASE (E.C.6.1.1.11)), TRNASER | Authors: | Biou, S, Cusack, V, Yaremchuk, A, Tukalo, M. | Deposit date: | 1994-02-21 | Release date: | 1994-04-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The 2.9 A crystal structure of T. thermophilus seryl-tRNA synthetase complexed with tRNA(Ser). Science, 263, 1994
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4UKD
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![BU of 4ukd by Molmil](/molmil-images/mine/4ukd) | UMP/CMP KINASE FROM SLIME MOLD COMPLEXED WITH ADP, UDP, BERYLLIUM FLUORIDE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM DIFLUORIDE, MAGNESIUM ION, ... | Authors: | Schlichting, I, Reinstein, J. | Deposit date: | 1997-05-20 | Release date: | 1998-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative. Biochemistry, 36, 1997
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7RWH
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![BU of 7rwh by Molmil](/molmil-images/mine/7rwh) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RWG
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![BU of 7rwg by Molmil](/molmil-images/mine/7rwg) | "Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | Descriptor: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW7
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![BU of 7rw7 by Molmil](/molmil-images/mine/7rw7) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | Descriptor: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW5
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![BU of 7rw5 by Molmil](/molmil-images/mine/7rw5) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | Descriptor: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7NXZ
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1SVR
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![BU of 1svr by Molmil](/molmil-images/mine/1svr) | |