8UP9
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![BU of 8up9 by Molmil](/molmil-images/mine/8up9) | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19Q) | Descriptor: | 1,2-ETHANEDIOL, Asparaginase, CHLORIDE ION, ... | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
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2YBU
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![BU of 2ybu by Molmil](/molmil-images/mine/2ybu) | Crystal structure of human acidic chitinase in complex with bisdionin F | Descriptor: | 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor. Chem. Biol., 18, 2011
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8UOR
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![BU of 8uor by Molmil](/molmil-images/mine/8uor) | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19E) | Descriptor: | 1,2-ETHANEDIOL, Asparaginase, CHLORIDE ION | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-20 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
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8UP8
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![BU of 8up8 by Molmil](/molmil-images/mine/8up8) | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21F, complex with L-Asp) | Descriptor: | ASPARTIC ACID, Asparaginase, CHLORIDE ION, ... | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
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2VTP
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![BU of 2vtp by Molmil](/molmil-images/mine/2vtp) | 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: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | 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 (2.15 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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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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2E2J
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![BU of 2e2j by Molmil](/molmil-images/mine/2e2j) | RNA polymerase II elongation complex in 5 mM Mg+2 with GMPCPP | Descriptor: | 27-MER DNA template strand, 5'-D(P*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*A)-3', 5'-R(P*AP*UP*CP*GP*AP*GP*AP*GP*G)-3', ... | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | Deposit date: | 2006-11-14 | Release date: | 2006-12-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.), 127, 2006
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7ZL8
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![BU of 7zl8 by Molmil](/molmil-images/mine/7zl8) | NME1 in complex with succinyl-CoA | Descriptor: | Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | Deposit date: | 2022-04-14 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
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2EB4
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![BU of 2eb4 by Molmil](/molmil-images/mine/2eb4) | Crystal structure of apo-HpcG | Descriptor: | 2-oxo-hept-3-ene-1,7-dioate hydratase, SODIUM ION, THIOCYANATE ION | Authors: | Izumi, A, Rea, D, Adachi, T, Unzai, S, Park, S.Y, Roper, D.I, Tame, J.R.H. | Deposit date: | 2007-02-07 | Release date: | 2007-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and Mechanism of HpcG, a Hydratase in the Homoprotocatechuate Degradation Pathway of Escherichia coli J.Mol.Biol., 370, 2007
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7ZLW
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![BU of 7zlw by Molmil](/molmil-images/mine/7zlw) | NME1 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | Deposit date: | 2022-04-15 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
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8UOU
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![BU of 8uou by Molmil](/molmil-images/mine/8uou) | Structure of atypical asparaginase from Rhodospirillum rubrum in complex with L-Asp | Descriptor: | ASPARTIC ACID, Asparaginase, CHLORIDE ION | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-20 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
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7ZTK
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![BU of 7ztk by Molmil](/molmil-images/mine/7ztk) | NME1 in complex with CoA | Descriptor: | COENZYME A, Nucleoside diphosphate kinase A | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | Deposit date: | 2022-05-10 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
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2YEV
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![BU of 2yev by Molmil](/molmil-images/mine/2yev) | Structure of caa3-type cytochrome oxidase | Descriptor: | (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, (2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE, ... | Authors: | Lyons, J.A, Aragao, D, Soulimane, T, Caffrey, M. | Deposit date: | 2011-03-31 | Release date: | 2012-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural Insights Into Electron Transfer in Caa3-Type Cytochrome Oxidases. Nature, 487, 2012
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2Y6N
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![BU of 2y6n by Molmil](/molmil-images/mine/2y6n) | |
8UTA
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![BU of 8uta by Molmil](/molmil-images/mine/8uta) | yjdF riboswitch from R. gauvreauii in complex with proflavine bound to Fab BL3-6 S97N | Descriptor: | Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, MAGNESIUM ION, ... | Authors: | Krochmal, D, Lewicka, A, Piccirilli, J.A. | Deposit date: | 2023-10-30 | Release date: | 2024-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis for promiscuity in ligand recognition by yjdF riboswitch. Cell Discov, 10, 2024
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8UOW
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![BU of 8uow by Molmil](/molmil-images/mine/8uow) | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21A) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Asparaginase | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-20 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
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2YMD
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![BU of 2ymd by Molmil](/molmil-images/mine/2ymd) | Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin (5-hydroxytryptamine) | Descriptor: | GLYCEROL, PHOSPHATE ION, SEROTONIN, ... | Authors: | Kesters, D, Thompson, A.J, Brams, M, Elk, R.v, Spurny, R, Geitmann, M, Villalgordo, J.M, Guskov, A, Danielson, U.H, Lummis, S.C.R, Smit, A.B, Ulens, C. | Deposit date: | 2012-10-09 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural Basis of Ligand Recognition in 5-Ht(3) Receptors. Embo Rep., 14, 2013
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2Y7Y
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![BU of 2y7y by Molmil](/molmil-images/mine/2y7y) | APLYSIA CALIFORNICA ACHBP IN APO STATE | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-Ray Analysis. J.Med.Chem., 52, 2009
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2YAZ
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![BU of 2yaz by Molmil](/molmil-images/mine/2yaz) | The Crystal Structure of Leishmania major dUTPase in complex dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DUTPASE, MAGNESIUM ION, ... | Authors: | Hemsworth, G.R, Moroz, O.V, Fogg, M.J, Scott, B, Bosch-Navarrete, C, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2011-02-25 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine. J.Biol.Chem., 286, 2011
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8UIW
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![BU of 8uiw by Molmil](/molmil-images/mine/8uiw) | yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, ... | Authors: | Krochmal, D, Lewicka, A, Piccirilli, J.A. | Deposit date: | 2023-10-10 | Release date: | 2024-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural basis for promiscuity in ligand recognition by yjdF riboswitch. Cell Discov, 10, 2024
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2YAY
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![BU of 2yay by Molmil](/molmil-images/mine/2yay) | The Crystal Structure of Leishmania major dUTPase in complex with substrate analogue dUpNpp | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CALCIUM ION, DUTPASE | Authors: | Hemsworth, G.R, Moroz, O.V, Fogg, M.J, Scott, B, Bosch-Navarrete, C, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2011-02-25 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine. J.Biol.Chem., 286, 2011
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8UKQ
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![BU of 8ukq by Molmil](/molmil-images/mine/8ukq) | RNA polymerase II elongation complex with Fapy-dG lesion in apo state | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Hou, P, Oh, J, Wang, D. | Deposit date: | 2023-10-15 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG. J.Am.Chem.Soc., 146, 2024
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8UKT
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![BU of 8ukt by Molmil](/molmil-images/mine/8ukt) | RNA polymerase II elongation complex with Fapy-dG lesion with AMP added | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Hou, P, Oh, J, Wang, D. | Deposit date: | 2023-10-15 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG. J.Am.Chem.Soc., 146, 2024
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8UKU
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![BU of 8uku by Molmil](/molmil-images/mine/8uku) | RNA polymerase II elongation complex with Fapy-dG lesion with CMP added | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Hou, P, Oh, J, Wang, D. | Deposit date: | 2023-10-15 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG. J.Am.Chem.Soc., 146, 2024
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8UKS
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![BU of 8uks by Molmil](/molmil-images/mine/8uks) | RNA polymerase II elongation complex with Fapy-dG lesion soaking with CTP before chemistry | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Hou, P, Oh, J, Wang, D. | Deposit date: | 2023-10-15 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG. J.Am.Chem.Soc., 146, 2024
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