4JN7
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![BU of 4jn7 by Molmil](/molmil-images/mine/4jn7) | CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE GALACTARATE DEHYDRATASE, TARGET EFI-500740) FROM AGROBACTERIUM RADIOBACTER, BOUND NA and L-MALATE, ORDERED ACTIVE SITE | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Vetting, M.W, Groninger-Poe, F, Bouvier, J.T, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-14 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE GALACTARATE DEHYDRATASE, TARGET EFI-500740) FROM AGROBACTERIUM RADIOBACTER, BOUND NA and L-MALATE, ORDERED ACTIVE SITE To be Published
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1T8N
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![BU of 1t8n by Molmil](/molmil-images/mine/1t8n) | CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O. | Deposit date: | 2004-05-13 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants. J.Mol.Biol., 344, 2004
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1T8L
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![BU of 1t8l by Molmil](/molmil-images/mine/1t8l) | CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O. | Deposit date: | 2004-05-13 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants. J.Mol.Biol., 344, 2004
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7JJM
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![BU of 7jjm by Molmil](/molmil-images/mine/7jjm) | Crystal structure of Importin alpha 2 in complex with LSD1 NLS | Descriptor: | CHLORIDE ION, Importin subunit alpha-1, Lysine-specific histone demethylase 1A | Authors: | Tu, W.J, McGuaig, R, Tan, H.Y.A, Hardy, C, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | Deposit date: | 2020-07-27 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch. Front Immunol, 11, 2020
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7U8W
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![BU of 7u8w by Molmil](/molmil-images/mine/7u8w) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.706 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8X
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![BU of 7u8x by Molmil](/molmil-images/mine/7u8x) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8V
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![BU of 7u8v by Molmil](/molmil-images/mine/7u8v) | hTRAP1 with inhibitors | Descriptor: | (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone], Heat shock protein 75 kDa, mitochondrial | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.448 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8K
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![BU of 7u8k by Molmil](/molmil-images/mine/7u8k) | Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments | Descriptor: | Actin, alpha skeletal muscle, Cofilin-2 | Authors: | Kraus, J, Russell, R, Kudryashova, E, Xu, C, Katyal, N, Kudryashov, D, Perilla, J.R, Polenova, T. | Deposit date: | 2022-03-08 | Release date: | 2023-08-16 | Last modified: | 2024-02-28 | Method: | SOLID-STATE NMR | Cite: | Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode. Nat Commun, 13, 2022
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7U8U
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![BU of 7u8u by Molmil](/molmil-images/mine/7u8u) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.065 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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8HGU
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![BU of 8hgu by Molmil](/molmil-images/mine/8hgu) | |
3FU7
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![BU of 3fu7 by Molmil](/molmil-images/mine/3fu7) | Melanocarpus albomyces laccase crystal soaked (4 sec) with 2,6-dimethoxyphenol | Descriptor: | 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione, 2,6-dimethoxyphenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kallio, J.P, Hakulinen, N, Rouvinen, J. | Deposit date: | 2009-01-14 | Release date: | 2009-09-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure Function Studies of a Melanocarpus albomyces Laccase Suggest a Pathway for Oxidation of Phenolic Compounds. J.Mol.Biol., 392, 2009
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8HTD
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![BU of 8htd by Molmil](/molmil-images/mine/8htd) | Crystal structure of an effector from Chromobacterium violaceum in complex with ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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3QPP
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![BU of 3qpp by Molmil](/molmil-images/mine/3qpp) | Structure of PDE10-inhibitor complex | Descriptor: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2011-02-14 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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3S3R
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![BU of 3s3r by Molmil](/molmil-images/mine/3s3r) | Structure of cathepsin B1 from Schistosoma mansoni in complex with K11777 inhibitor | Descriptor: | Cathepsin B-like peptidase (C01 family), Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | Deposit date: | 2011-05-18 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni. J.Biol.Chem., 286, 2011
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8HTC
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![BU of 8htc by Molmil](/molmil-images/mine/8htc) | Crystal structure of a SeMet-labeled effector from Chromobacterium violaceum in complex with Ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin-40S ribosomal protein S27a (Fragment) | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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421P
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![BU of 421p by Molmil](/molmil-images/mine/421p) | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Krengel, U, John, J, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | Deposit date: | 1991-06-06 | Release date: | 1994-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules. Cell(Cambridge,Mass.), 62, 1990
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8HTE
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![BU of 8hte by Molmil](/molmil-images/mine/8hte) | Crystal structure of an effector mutant in complex with ubiquitin | Descriptor: | GLYCEROL, NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE, ... | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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4CDC
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![BU of 4cdc by Molmil](/molmil-images/mine/4cdc) | Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide | Descriptor: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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8HTF
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![BU of 8htf by Molmil](/molmil-images/mine/8htf) | Crystal structure of an effector in complex with ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Ubiquitin-40S ribosomal protein S27a (Fragment) | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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8HM5
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![BU of 8hm5 by Molmil](/molmil-images/mine/8hm5) | |
1CYE
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![BU of 1cye by Molmil](/molmil-images/mine/1cye) | THREE DIMENSIONAL STRUCTURE OF CHEMOTACTIC CHE Y PROTEIN IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE METHODS | Descriptor: | CHEY | Authors: | Santoro, J, Bruix, M, Pascual, J, Lopez, E, Serrano, L, Rico, M. | Deposit date: | 1994-10-21 | Release date: | 1995-02-07 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of chemotactic Che Y protein in aqueous solution by nuclear magnetic resonance methods. J.Mol.Biol., 247, 1995
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4C33
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![BU of 4c33 by Molmil](/molmil-images/mine/4c33) | PKA-S6K1 Chimera Apo | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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7V2Q
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![BU of 7v2q by Molmil](/molmil-images/mine/7v2q) | T.thermophilus 30S ribosome with KsgA, class K6 | Descriptor: | 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Raina, R, Singh, J, Anand, R, Vinothkumar, K.R. | Deposit date: | 2021-08-09 | Release date: | 2022-04-06 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases. Acs Chem.Biol., 17, 2022
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3SCM
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![BU of 3scm by Molmil](/molmil-images/mine/3scm) | |
4C4I
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![BU of 4c4i by Molmil](/molmil-images/mine/4c4i) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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