4D0Y
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2VTH
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![BU of 2vth by Molmil](/molmil-images/mine/2vth) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2W1G
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![BU of 2w1g by Molmil](/molmil-images/mine/2w1g) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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4DEX
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4DFA
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![BU of 4dfa by Molmil](/molmil-images/mine/4dfa) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/L36A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Clark, I.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2012-01-23 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.404 Å) | Cite: | Pressure effects in proteins To be Published
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1VYK
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![BU of 1vyk by Molmil](/molmil-images/mine/1vyk) | CRYSTAL STRUCTURE OF PSBQ PROTEIN OF PHOTOSYSTEM II FROM HIGHER PLANTS | Descriptor: | ACETATE ION, OXYGEN-EVOLVING ENHANCER PROTEIN 3, ZINC ION | Authors: | Hermoso, J.A, Balsera, M, De Las Rivas, J, Arellano, J.B. | Deposit date: | 2004-04-30 | Release date: | 2005-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | The 1.49 A Resolution Crystal Structure of Psbq from Photosystem II of Spinacia Oleracea Reveals a Ppii Structure in the N-Terminal Region. J.Mol.Biol., 350, 2005
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2W36
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![BU of 2w36 by Molmil](/molmil-images/mine/2w36) | Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*TP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*BRUP*AP*CP*IP*GP*AP*BRUP*CP*GP)-3', ENDONUCLEASE V | Authors: | Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M. | Deposit date: | 2008-11-06 | Release date: | 2009-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair. Nat.Struct.Mol.Biol., 16, 2009
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2W1C
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![BU of 2w1c by Molmil](/molmil-images/mine/2w1c) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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4DGZ
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![BU of 4dgz by Molmil](/molmil-images/mine/4dgz) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/L125A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Nam, S.P, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2012-01-27 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Pressure effects in proteins To be Published
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1W35
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![BU of 1w35 by Molmil](/molmil-images/mine/1w35) | FERREDOXIN-NADP+ REDUCTASE (MUTATION: Y 303 W) | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Perez-Dorado, I, Medina, M, Julvez, M.M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2004-07-13 | Release date: | 2005-07-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H. Biochemistry, 44, 2005
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2W46
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![BU of 2w46 by Molmil](/molmil-images/mine/2w46) | CBM35 from Cellvibrio japonicus Abf62 | Descriptor: | CALCIUM ION, ESTERASE D, SODIUM ION | Authors: | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2008-11-21 | Release date: | 2009-01-27 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.USA, 106, 2009
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1W34
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![BU of 1w34 by Molmil](/molmil-images/mine/1w34) | FERREDOXIN-NADP REDUCTASE (MUTATION: Y 303 S) | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Perez-Dorado, I, Medina, M, Julvez, M.M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2004-07-13 | Release date: | 2005-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H. Biochemistry, 44, 2005
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1W52
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![BU of 1w52 by Molmil](/molmil-images/mine/1w52) | Crystal structure of a proteolyzed form of pancreatic lipase related protein 2 from horse | Descriptor: | CALCIUM ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, PANCREATIC LIPASE RELATED PROTEIN 2 | Authors: | Mancheno, J.M, Jayne, S, Kerfelec, B, Chapus, C, Crenon, I, Hermoso, J.A. | Deposit date: | 2004-08-04 | Release date: | 2006-07-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystalization of a Proteolyzed Form of the Horse Pancreatic Lipase-Related Protein 2: Structural Basis for the Specific Detergent Requirement. Acta Crystallogr.,Sect.D, 60, 2004
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2W05
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![BU of 2w05 by Molmil](/molmil-images/mine/2w05) | Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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4DX7
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![BU of 4dx7 by Molmil](/molmil-images/mine/4dx7) | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | Descriptor: | Acriflavine resistance protein B, DARPIN, DECANE, ... | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | Deposit date: | 2012-02-27 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop. Proc.Natl.Acad.Sci.USA, 109, 2012
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1W8A
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1WB5
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![BU of 1wb5 by Molmil](/molmil-images/mine/1wb5) | S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with syringate | Descriptor: | ACETATE ION, CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, ... | Authors: | Tarbouriech, N, Prates, J.A, Fontes, C, Davies, G.J. | Deposit date: | 2004-10-30 | Release date: | 2005-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Determinants of Substrate Specificity in the Feruloyl Esterase Module of Xylanase 10B from Clostridium Thermocellum Acta Crystallogr.,Sect.D, 61, 2005
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4DF0
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![BU of 4df0 by Molmil](/molmil-images/mine/4df0) | Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Orotidine 5'-phosphate decarboxylase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-01-22 | Release date: | 2013-01-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus To be Published
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1VHH
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![BU of 1vhh by Molmil](/molmil-images/mine/1vhh) | A POTENTIAL CATALYTIC SITE WITHIN THE AMINO-TERMINAL SIGNALLING DOMAIN OF SONIC HEDGEHOG | Descriptor: | SONIC HEDGEHOG, SULFATE ION, ZINC ION | Authors: | Hall, T.M.T, Porter, J.A, Beachy, P.A, Leahy, D.J. | Deposit date: | 1995-10-03 | Release date: | 1996-01-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A potential catalytic site revealed by the 1.7-A crystal structure of the amino-terminal signalling domain of Sonic hedgehog. Nature, 378, 1995
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2WCH
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![BU of 2wch by Molmil](/molmil-images/mine/2wch) | Structure of BMori GOBP2 (General Odorant Binding Protein 2) with bombykal | Descriptor: | (10E,12Z)-hexadeca-10,12-dienal, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | Deposit date: | 2009-03-12 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components. J.Mol.Biol., 389, 2009
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1NMU
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![BU of 1nmu by Molmil](/molmil-images/mine/1nmu) | MBP-L30 | Descriptor: | 60S ribosomal protein L30, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding periplasmic protein | Authors: | Chao, J.A, Prasad, G.S, White, S.A, Stout, C.D, Williamson, J.R. | Deposit date: | 2003-01-10 | Release date: | 2003-02-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Inherent Protein Structural Flexibility at the RNA-binding Interface of L30e J.Mol.Biol., 326, 2003
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4DO7
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![BU of 4do7 by Molmil](/molmil-images/mine/4do7) | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2 | Descriptor: | Amidohydrolase 2, SULFATE ION, ZINC ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-02-09 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2 to be published
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1VZS
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![BU of 1vzs by Molmil](/molmil-images/mine/1vzs) | Solution structure of subunit F6 from the peripheral stalk region of ATP synthase from bovine heart mitochondria | Descriptor: | ATP SYNTHASE COUPLING FACTOR 6, MITOCHONDRIAL PRECURSOR | Authors: | Carbajo, R.J, Silvester, J.A, Runswick, M.J, Walker, J.E, Neuhaus, D. | Deposit date: | 2004-05-25 | Release date: | 2004-09-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of Subunit F(6) from the Peripheral Stalk Region of ATP Synthase from Bovine Heart Mitochondria J.Mol.Biol., 342, 2004
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2W35
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![BU of 2w35 by Molmil](/molmil-images/mine/2w35) | Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair | Descriptor: | 5'-D(*AP*GP*CP*CP*GP*TP)-3', 5'-D(*AP*TP*GP*CP*GP*AP*CP*IP*GP)-3', Endonuclease V, ... | Authors: | Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M. | Deposit date: | 2008-11-06 | Release date: | 2009-01-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair. Nat.Struct.Mol.Biol., 16, 2009
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2W2D
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![BU of 2w2d by Molmil](/molmil-images/mine/2w2d) | Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A | Descriptor: | ACETATE ION, BOTULINUM NEUROTOXIN A HEAVY CHAIN, BOTULINUM NEUROTOXIN A LIGHT CHAIN, ... | Authors: | Masuyer, G, Thiyagarajan, N, James, P.L, Marks, P.M.H, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2008-10-29 | Release date: | 2009-03-24 | Last modified: | 2022-05-04 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal Structure of a Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A. Biochem.Biophys.Res.Commun., 381, 2009
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