6CJY
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![BU of 6cjy by Molmil](/molmil-images/mine/6cjy) | Crystal Structure of Mnk2-D228G in complex with Inhibitor | Descriptor: | 5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CK3
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![BU of 6ck3 by Molmil](/molmil-images/mine/6ck3) | Co-crytsal Structure of MNK2 in Complex With an Inhibitor | Descriptor: | (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-protein kinase 2, ... | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CJW
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![BU of 6cjw by Molmil](/molmil-images/mine/6cjw) | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | Descriptor: | 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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4GFX
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![BU of 4gfx by Molmil](/molmil-images/mine/4gfx) | Crystal structure of the N-terminal domain of TXNIP | Descriptor: | GLYCEROL, Thioredoxin-interacting protein | Authors: | Hwang, J, Kim, M.H. | Deposit date: | 2012-08-04 | Release date: | 2014-02-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein. Nat Commun, 5, 2014
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7F0M
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![BU of 7f0m by Molmil](/molmil-images/mine/7f0m) | Crystal Structure of human Pin1 complexed with a potent covalent inhibitor | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Liu, L, Li, J. | Deposit date: | 2021-06-05 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
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2ESW
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2X7F
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![BU of 2x7f by Molmil](/molmil-images/mine/2x7f) | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | Authors: | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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2DNY
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![BU of 2dny by Molmil](/molmil-images/mine/2dny) | Solution structure of the third RNA binding domain of FBP-interacting repressor, SIAHBP1 | Descriptor: | Fuse-binding protein-interacting repressor, isoform b | Authors: | Suzuki, S, Nagata, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-27 | Release date: | 2007-04-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the third RNA binding domain of FBP-interacting repressor, SIAHBP1 To be Published
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3B70
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![BU of 3b70 by Molmil](/molmil-images/mine/3b70) | Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (LovC) with bound NADP | Descriptor: | Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C. | Deposit date: | 2007-10-29 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
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3KTB
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![BU of 3ktb by Molmil](/molmil-images/mine/3ktb) | Crystal Structure of Arsenical Resistance Operon Trans-acting Repressor from Bacteroides vulgatus ATCC 8482 | Descriptor: | ACETIC ACID, Arsenical resistance operon trans-acting repressor, CALCIUM ION, ... | Authors: | Kim, Y, Tesar, C, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-11-24 | Release date: | 2009-12-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Arsenical Resistance Operon Trans-acting Repressor from Bacteroides vulgatus ATCC 8482 To be Published
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2L6U
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![BU of 2l6u by Molmil](/molmil-images/mine/2l6u) | Solution NMR Structure of Med25(391-543) Comprising the Activator-Interacting Domain (ACID) of Human Mediator Subuniti 25. Northeast Structural Genomics Consortium Target HR6188A | Descriptor: | Mediator complex subunit MED25 | Authors: | Eletsky, A, Ryuechan, W.T, Sukumaran, D.K, Shastry, R, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-11-24 | Release date: | 2011-01-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of MED25(391-543) comprising the activator-interacting domain (ACID) of human mediator subunit 25. J.Struct.Funct.Genom., 12, 2011
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7EU4
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![BU of 7eu4 by Molmil](/molmil-images/mine/7eu4) | |
4OQR
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![BU of 4oqr by Molmil](/molmil-images/mine/4oqr) | Structure of a CYP105AS1 mutant in complex with compactin | Descriptor: | CYP105AS1, Mevastatin, Compactin, ... | Authors: | Leys, D. | Deposit date: | 2014-02-10 | Release date: | 2015-02-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum. Proc.Natl.Acad.Sci.USA, 112, 2015
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6XUB
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![BU of 6xub by Molmil](/molmil-images/mine/6xub) | Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with monovinyl monopropionyl deuteroheme | Descriptor: | Chlorite dismutase, harderoheme (III) | Authors: | Michlits, H, Lier, B, Pfanzagl, V, Djinovic-Carugo, K, Furtmueller, P.G, Oostenbrink, C, Obinger, C, Hofbauer, S. | Deposit date: | 2020-01-17 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation. Acs Catalysis, 10, 2020
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6CK6
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![BU of 6ck6 by Molmil](/molmil-images/mine/6ck6) | Crystal Structure of Mnk2-D228G in complex with Inhibitor | Descriptor: | 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CJE
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![BU of 6cje by Molmil](/molmil-images/mine/6cje) | Crystal Structure of Mnk2-D228G in complex with Inhibitor | Descriptor: | 4-[(9H-purin-6-yl)amino]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-26 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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2VN8
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![BU of 2vn8 by Molmil](/molmil-images/mine/2vn8) | Crystal structure of human Reticulon 4 interacting protein 1 in complex with NADPH | Descriptor: | CITRIC ACID, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pike, A.C.W, Guo, K, Elkins, J, Ugochukwu, E, Roos, A.K, Filippakopoulos, P, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2008-01-31 | Release date: | 2008-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Human Reticulon 4 Interacting Protein 1 in Complex with Nadph To be Published
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2Y7X
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![BU of 2y7x by Molmil](/molmil-images/mine/2y7x) | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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6XUC
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![BU of 6xuc by Molmil](/molmil-images/mine/6xuc) | Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with coproheme | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Chlorite dismutase | Authors: | Michlits, H, Lier, B, Pfanzagl, V, Djinovic-Carugo, K, Furtmueller, P.G, Oostenbrink, C, Obinger, C, Hofbauer, S. | Deposit date: | 2020-01-17 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8702 Å) | Cite: | Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation. Acs Catalysis, 10, 2020
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6SZE
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![BU of 6sze by Molmil](/molmil-images/mine/6sze) | |
6SZJ
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![BU of 6szj by Molmil](/molmil-images/mine/6szj) | |
4LG5
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![BU of 4lg5 by Molmil](/molmil-images/mine/4lg5) | ABA-mimicking ligand QUINABACTIN in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, Protein phosphatase 2C 16, ... | Authors: | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | Deposit date: | 2013-06-27 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
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3KQ6
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![BU of 3kq6 by Molmil](/molmil-images/mine/3kq6) | Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Wan, Z.L, Hu, S.Q, Whittaker, L, Phillips, N.B, Whittake, J, Ismail-Beigi, F, Weiss, M.A. | Deposit date: | 2009-11-17 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Supramolecular protein engineering: design of zinc-stapled insulin hexamers as a long acting depot. J.Biol.Chem., 285, 2010
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5NWS
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![BU of 5nws by Molmil](/molmil-images/mine/5nws) | Crystal structure of saAcmM involved in actinomycin biosynthesis | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ... | Authors: | Driller, R, Semsary, S, Crnovicic, I, Vater, J, Keller, U, Loll, B. | Deposit date: | 2017-05-08 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | Ketonization of Proline Residues in the Peptide Chains of Actinomycins by a 4-Oxoproline Synthase. Chembiochem, 19, 2018
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7BBO
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![BU of 7bbo by Molmil](/molmil-images/mine/7bbo) | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PH-interacting protein | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-18 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 To Be Published
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