6PQ3
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![BU of 6pq3 by Molmil](/molmil-images/mine/6pq3) | Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K. | Deposit date: | 2019-07-08 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling. J.Biol.Chem., 295, 2020
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3KQ7
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3KSW
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![BU of 3ksw by Molmil](/molmil-images/mine/3ksw) | Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide) | Descriptor: | 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | Authors: | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | Deposit date: | 2009-11-23 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi. J.Biol.Chem., 285, 2010
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4XH0
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![BU of 4xh0 by Molmil](/molmil-images/mine/4xh0) | Structure of C. glabrata Hrr25 bound to ADP (SO4 condition) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Similar to uniprot|P29295 Saccharomyces cerevisiae YPL204w HRR25 | Authors: | Ye, Q, Corbett, K.D. | Deposit date: | 2015-01-04 | Release date: | 2016-01-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator. Embo J., 35, 2016
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4XIC
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![BU of 4xic by Molmil](/molmil-images/mine/4xic) | ANTPHD WITH 15BP di-thioate modified DNA DUPLEX | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2015-01-06 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate. Biophys.J., 109, 2015
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3KUO
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![BU of 3kuo by Molmil](/molmil-images/mine/3kuo) | X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S. | Deposit date: | 2009-11-27 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond. Acta Crystallogr.,Sect.D, 66, 2010
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4XOZ
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![BU of 4xoz by Molmil](/molmil-images/mine/4xoz) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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8U1C
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4XPC
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6PQ0
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![BU of 6pq0 by Molmil](/molmil-images/mine/6pq0) | LCP-embedded Proteinase K treated with MPD | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L. | Deposit date: | 2019-07-08 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | Cite: | Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED. Structure, 28, 2020
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4XJ0
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![BU of 4xj0 by Molmil](/molmil-images/mine/4xj0) | Crystal structure of ERK2 in complex with an inhibitor 14K | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2015-01-08 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J.Med.Chem., 58, 2015
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8TRN
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![BU of 8trn by Molmil](/molmil-images/mine/8trn) | Actin 1 from T. gondii in filaments bound to MgADP and jasplakinolide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, Jasplakinolide, ... | Authors: | Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M. | Deposit date: | 2023-08-09 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover. Nat Commun, 15, 2024
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8TRM
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![BU of 8trm by Molmil](/molmil-images/mine/8trm) | Actin 1 from T. gondii in filaments bound to MgADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION | Authors: | Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M. | Deposit date: | 2023-08-09 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover. Nat Commun, 15, 2024
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8U8J
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6PQ4
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![BU of 6pq4 by Molmil](/molmil-images/mine/6pq4) | LCP-embedded Proteinase K treated with lipase | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L. | Deposit date: | 2019-07-08 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | Cite: | Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED. Structure, 28, 2020
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3KZA
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![BU of 3kza by Molmil](/molmil-images/mine/3kza) | Crystal structure of Gyuba, a patched chimera of b-lactglobulin | Descriptor: | Beta-lactoglobulin | Authors: | Tsuge, H, Ohtomo, H, Utsunomiya, H, Konuma, T, Ikeguchi, M. | Deposit date: | 2009-12-08 | Release date: | 2010-12-22 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and stability of Gyuba, a patched chimera of b-lactoglobulin Protein Sci., 20, 2011
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3KYR
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![BU of 3kyr by Molmil](/molmil-images/mine/3kyr) | Bace-1 in complex with a norstatine type inhibitor | Descriptor: | 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1 | Authors: | Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S. | Deposit date: | 2009-12-07 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs To be Published
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3KZJ
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![BU of 3kzj by Molmil](/molmil-images/mine/3kzj) | Structure of complement Factor H variant R1203A | Descriptor: | Complement factor H, SULFATE ION | Authors: | Bhattacharjee, A, Lehtinen, M.J, Kajander, T, Goldman, A, Jokiranta, T.S. | Deposit date: | 2009-12-08 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Both domain 19 and domain 20 of factor H are involved in binding to complement C3b and C3d Mol.Immunol., 47, 2010
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8U1S
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4Y00
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![BU of 4y00 by Molmil](/molmil-images/mine/4y00) | Crystal Structure of Human TDP-43 RRM1 Domain with D169G Mutation in Complex with an Unmodified Single-stranded DNA | Descriptor: | DNA (5'-D(P*TP*TP*GP*AP*GP*CP*GP*T)-3'), TAR DNA-binding protein 43 | Authors: | Chiang, C.H, Kuo, P.H, Yang, W.Z, Yuan, H.S. | Deposit date: | 2015-02-05 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analysis of disease-related TDP-43 D169G mutation: linking enhanced stability and caspase cleavage efficiency to protein accumulation Sci Rep, 6, 2016
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8U1Q
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8U8K
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3L59
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![BU of 3l59 by Molmil](/molmil-images/mine/3l59) | Structure of BACE Bound to SCH710413 | Descriptor: | (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3KN5
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3KM2
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![BU of 3km2 by Molmil](/molmil-images/mine/3km2) | |