5EI6
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![BU of 5ei6 by Molmil](/molmil-images/mine/5ei6) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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4F4U
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5EHY
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![BU of 5ehy by Molmil](/molmil-images/mine/5ehy) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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6S2X
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![BU of 6s2x by Molmil](/molmil-images/mine/6s2x) | Crystal structure of the Legionella pneumophila ChiA C-terminal domain | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ChiA | Authors: | Garnett, J.A, Shaw, R. | Deposit date: | 2019-06-23 | Release date: | 2020-04-22 | Last modified: | 2020-05-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure and functional analysis of the Legionella pneumophila chitinase ChiA reveals a novel mechanism of metal-dependent mucin degradation. Plos Pathog., 16, 2020
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5EI8
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![BU of 5ei8 by Molmil](/molmil-images/mine/5ei8) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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7LAD
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![BU of 7lad by Molmil](/molmil-images/mine/7lad) | Clobetasol propionate bound to CYP3A5 | Descriptor: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | Deposit date: | 2021-01-06 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5. J.Am.Chem.Soc., 143, 2021
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4I91
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![BU of 4i91 by Molmil](/molmil-images/mine/4i91) | Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2012-12-04 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6. J.Am.Chem.Soc., 135, 2013
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7MK8
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5EHO
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![BU of 5eho by Molmil](/molmil-images/mine/5eho) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-28 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach To Be Published
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7ML7
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1YIQ
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![BU of 1yiq by Molmil](/molmil-images/mine/1yiq) | Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADHIIG from Pseudomonas putida HK5. Compariison to the other quinohemoprotein alcohol dehydrogenase ADHIIB found in the same microorganism. | Descriptor: | CALCIUM ION, HEME C, PYRROLOQUINOLINE QUINONE, ... | Authors: | Toyama, H, Chen, Z.W, Fukumoto, M, Adachi, O, Matsushita, K, Mathews, F.S. | Deposit date: | 2005-01-12 | Release date: | 2005-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADH-IIG from Pseudomonas putida HK5 J.Mol.Biol., 352, 2005
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3RBW
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![BU of 3rbw by Molmil](/molmil-images/mine/3rbw) | Crystal structure of Spire KIND domain | Descriptor: | Protein spire homolog 1 | Authors: | Vizcarra, C.L, Kreutz, B, Rodal, A.A, Toms, A.V, Lu, J, Zheng, W, Quinlan, M.E, Eck, M.J. | Deposit date: | 2011-03-30 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the Spire KIND domain and insights into its interaction with Fmn-family formins Proc.Natl.Acad.Sci.USA, 2011
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7KBS
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6U7L
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![BU of 6u7l by Molmil](/molmil-images/mine/6u7l) | 2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli. | Descriptor: | CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming) | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-09-03 | Release date: | 2019-11-06 | Last modified: | 2021-01-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment. Protein Sci., 29, 2020
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5E8P
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![BU of 5e8p by Molmil](/molmil-images/mine/5e8p) | The structure of the TEIPP associated altered peptide ligand Trh4-p5NLE in complex with H-2D(b) | Descriptor: | Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ... | Authors: | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | Deposit date: | 2015-10-14 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer. J Immunol., 196, 2016
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5E9I
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5E9M
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3S4R
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2GTN
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![BU of 2gtn by Molmil](/molmil-images/mine/2gtn) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 | Descriptor: | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | Deposit date: | 2006-04-28 | Release date: | 2006-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
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2GU8
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1ZUA
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![BU of 1zua by Molmil](/molmil-images/mine/1zua) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT | Authors: | Gallego, O, Ruiz, F.X, Ardevol, A, Dominguez, M, Alvarez, R, de Lera, A.R, Rovira, C, Farres, J, Fita, I, Pares, X. | Deposit date: | 2005-05-30 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10. Proc.Natl.Acad.Sci.USA, 104, 2007
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7JZS
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![BU of 7jzs by Molmil](/molmil-images/mine/7jzs) | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with CoA | Descriptor: | Aminoglycoside 2'-N-acetyltransferase, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Park, J, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2020-09-02 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes. Sci Rep, 11, 2021
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2EBW
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4CB9
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![BU of 4cb9 by Molmil](/molmil-images/mine/4cb9) | Structure of full-length CTNNBL1 in P43212 space group | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1 | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | Deposit date: | 2013-10-10 | Release date: | 2013-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha FEBS Lett., 588, 2014
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4BXO
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![BU of 4bxo by Molmil](/molmil-images/mine/4bxo) | Architecture and DNA recognition elements of the Fanconi anemia FANCM- FAAP24 complex | Descriptor: | 5'-D(*GP*AP*TP*GP*AP*TP*GP*CP*TP*GP*CP)-3', 5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*AP*TP*CP)-3', CALCIUM ION, ... | Authors: | Coulthard, R, Deans, A, Swuec, P, Bowles, M, Purkiss, A, Costa, A, West, S, McDonald, N. | Deposit date: | 2013-07-15 | Release date: | 2013-08-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Architecture and DNA Recognition Elements of the Fanconi Anemia Fancm-Faap24 Complex. Structure, 21, 2013
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