3PUY
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8IDE
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![BU of 8ide by Molmil](/molmil-images/mine/8ide) | Structure of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme (TsaN) | Descriptor: | MANGANESE (II) ION, N(6)-L-threonylcarbamoyladenine synthase | Authors: | Zhang, Z.L, Jin, M.Q, Yu, Z.J, Chen, W, Wang, X.L, Lei, D.S, Zhang, W.H. | Deposit date: | 2023-02-13 | Release date: | 2023-07-26 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structure-function analysis of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme reveals a prototype of tRNA t6A and ct6A synthetases. Nucleic Acids Res., 51, 2023
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3WJR
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![BU of 3wjr by Molmil](/molmil-images/mine/3wjr) | crystal structure of HypE in complex with a nucleotide | Descriptor: | ADENOSINE MONOPHOSPHATE, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tominaga, T, Watanabe, S, Miki, K. | Deposit date: | 2013-10-14 | Release date: | 2013-12-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.864 Å) | Cite: | Crystal structures of the carbamoylated and cyanated forms of HypE for [NiFe] hydrogenase maturation Proc.Natl.Acad.Sci.USA, 110, 2013
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3PN1
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![BU of 3pn1 by Molmil](/molmil-images/mine/3pn1) | Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase | Authors: | Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S. | Deposit date: | 2010-11-18 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo. Antimicrob.Agents Chemother., 55, 2011
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6WEW
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![BU of 6wew by Molmil](/molmil-images/mine/6wew) | Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Peat, T.S, Dennis, M, Newman, J. | Deposit date: | 2020-04-03 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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7OU2
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![BU of 7ou2 by Molmil](/molmil-images/mine/7ou2) | The structure of MutS bound to two molecules of ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS | Authors: | Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V. | Deposit date: | 2021-06-11 | Release date: | 2022-01-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair. Nat.Struct.Mol.Biol., 29, 2022
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6WLN
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![BU of 6wln by Molmil](/molmil-images/mine/6wln) | hc16 ligase product models, 10.0 Angstrom resolution | Descriptor: | RNA (349-MER) | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | Deposit date: | 2020-04-20 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
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3NBV
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3N1S
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![BU of 3n1s by Molmil](/molmil-images/mine/3n1s) | Crystal structure of wild type ecHint GMP complex | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, HIT-like protein hinT | Authors: | Cody, V. | Deposit date: | 2010-05-17 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Probing the Impact of the echinT C-Terminal Domain on Structure and Catalysis. J.Mol.Biol., 404, 2010
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3N1T
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![BU of 3n1t by Molmil](/molmil-images/mine/3n1t) | Crystal structure of the H101A mutant ecHint GMP complex | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, HIT-like protein hinT | Authors: | Cody, V. | Deposit date: | 2010-05-17 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.716 Å) | Cite: | Probing the Impact of the echinT C-Terminal Domain on Structure and Catalysis. J.Mol.Biol., 404, 2010
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6WET
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![BU of 6wet by Molmil](/molmil-images/mine/6wet) | Crystal structures of human E-NPP 1: apo | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Peat, T.S, Dennis, M, Newman, J. | Deposit date: | 2020-04-02 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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6WEU
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![BU of 6weu by Molmil](/molmil-images/mine/6weu) | Crystal structures of human E-NPP 1: bound to adenosine-5'-thio-monophosphate | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Peat, T.S, Dennis, M, Newman, J. | Deposit date: | 2020-04-03 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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6WEV
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![BU of 6wev by Molmil](/molmil-images/mine/6wev) | Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Peat, T.S, Dennis, M, Newman, J. | Deposit date: | 2020-04-03 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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4IX5
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![BU of 4ix5 by Molmil](/molmil-images/mine/4ix5) | Crystal structure of a Stt7 homolog from Micromonas algae in complex with AMP-PNP | Descriptor: | MAGNESIUM ION, MsStt7d protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. | Deposit date: | 2013-01-24 | Release date: | 2013-10-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae Protein Cell, 4, 2013
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6TY4
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![BU of 6ty4 by Molmil](/molmil-images/mine/6ty4) | FAK structure with AMP-PNP from single particle analysis of 2D crystals | Descriptor: | Focal adhesion kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D. | Deposit date: | 2020-01-15 | Release date: | 2020-08-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (5.96 Å) | Cite: | Structural basis of Focal Adhesion Kinase activation on lipid membranes. Embo J., 39, 2020
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3QKT
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![BU of 3qkt by Molmil](/molmil-images/mine/3qkt) | Rad50 ABC-ATPase with adjacent coiled-coil region in complex with AMP-PNP | Descriptor: | DNA double-strand break repair rad50 ATPase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol., 18, 2011
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3NDP
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![BU of 3ndp by Molmil](/molmil-images/mine/3ndp) | Crystal structure of human AK4(L171P) | Descriptor: | Adenylate kinase isoenzyme 4, SULFATE ION | Authors: | Liu, R, Wang, Y, Wei, Z, Gong, W. | Deposit date: | 2010-06-07 | Release date: | 2010-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of human adenylate kinase 4 (L171P) suggests the role of hinge region in protein domain motion Biochem.Biophys.Res.Commun., 379, 2009
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4JRN
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![BU of 4jrn by Molmil](/molmil-images/mine/4jrn) | ROP18 kinase domain in complex with AMP-PNP and sucrose | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Rhoptry kinase family protein, ... | Authors: | Lim, D, Gold, D.A, Lindsay, J, Rosowski, E.E, Niedelman, W, Yaffe, M.B, Saeij, J.P.J. | Deposit date: | 2013-03-21 | Release date: | 2013-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structure of the Toxoplasma gondii ROP18 kinase domain reveals a second ligand binding pocket required for acute virulence. J.Biol.Chem., 288, 2013
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3PYF
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![BU of 3pyf by Molmil](/molmil-images/mine/3pyf) | Mycobacterium tuberculosis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) in complex with AMP-PNP | Descriptor: | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Shan, S, Chen, X.H, Liu, T, Zhao, H.C, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2010-12-13 | Release date: | 2012-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis for anti-TB Drug Discovery targeting of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) from Mycobacterium tuberculosis To be Published
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3QF4
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![BU of 3qf4 by Molmil](/molmil-images/mine/3qf4) | Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation | Descriptor: | ABC transporter, ATP-binding protein, MAGNESIUM ION, ... | Authors: | Hohl, M, Briand, C, Gruetter, M.G, Seeger, M.A. | Deposit date: | 2011-01-21 | Release date: | 2012-03-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation Nat.Struct.Mol.Biol., 19, 2012
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3QTC
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![BU of 3qtc by Molmil](/molmil-images/mine/3qtc) | Crystal structure of the catalytic domain of MmOmeRS, an O-methyl tyrosyl-tRNA synthetase evolved from Methanosarcina mazei PylRS, complexed with O-methyl tyrosine and AMP-PNP | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, O-methyl-L-tyrosine, ... | Authors: | Dellas, N, Takimoto, J.K, Noel, J.P, Wang, L. | Deposit date: | 2011-02-22 | Release date: | 2011-05-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Stereochemical Basis for Engineered Pyrrolysyl-tRNA Synthetase and the Efficient in Vivo Incorporation of Structurally Divergent Non-native Amino Acids. Acs Chem.Biol., 6, 2011
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5X4U
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5X4T
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5X4V
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![BU of 5x4v by Molmil](/molmil-images/mine/5x4v) | Roseoflavin substituted OaPAC | Descriptor: | 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol, Photoactivated adenylyl cyclase | Authors: | Ohki, M, Park, S.-Y. | Deposit date: | 2017-02-14 | Release date: | 2017-07-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular mechanism of photoactivation of a light-regulated adenylate cyclase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6P8Q
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![BU of 6p8q by Molmil](/molmil-images/mine/6p8q) | EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ADENOSINE MONOPHOSPHATE, ... | Authors: | Yun, C.H, Heppner, D.E, Eck, M.J. | Deposit date: | 2019-06-07 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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