7D61
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![BU of 7d61 by Molmil](/molmil-images/mine/7d61) | Cryo-EM Structure of human CALHM5 in the presence of EDTA | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5 | Authors: | Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of human calcium homeostasis modulator 5. Cell Discov, 6, 2020
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4KA0
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![BU of 4ka0 by Molmil](/molmil-images/mine/4ka0) | Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P21221 | Descriptor: | CHLORIDE ION, Putative thiol-disulfide oxidoreductase | Authors: | Vetting, M.W, Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R.D, Bonanno, J.B, Armstrong, R.N, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-21 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P21221 To be Published
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5KVH
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![BU of 5kvh by Molmil](/molmil-images/mine/5kvh) | Crystal structure of human apoptosis-inducing factor with W196A mutation | Descriptor: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | Deposit date: | 2016-07-14 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor. Structure, 24, 2016
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7DFV
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![BU of 7dfv by Molmil](/molmil-images/mine/7dfv) | Cryo-EM structure of plant NLR RPP1 tetramer core part | Descriptor: | NAD+ hydrolase (NADase) | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | Deposit date: | 2020-11-10 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme. Science, 370, 2020
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5KVI
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![BU of 5kvi by Molmil](/molmil-images/mine/5kvi) | Crystal structure of monomeric human apoptosis-inducing factor with E413A/R422A/R430A mutations | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apoptosis-inducing factor 1, mitochondrial, ... | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | Deposit date: | 2016-07-14 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor. Structure, 24, 2016
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4KGI
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![BU of 4kgi by Molmil](/molmil-images/mine/4kgi) | Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-his-tag linker in active site | Descriptor: | GLUTATHIONE, Glutathione S-transferase | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-04-29 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-His-tag linker in active site To be published
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4G74
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![BU of 4g74 by Molmil](/molmil-images/mine/4g74) | Crystal structure of NDH with Quinone | Descriptor: | 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ... | Authors: | Li, W, Feng, Y, Ge, J, Yang, M. | Deposit date: | 2012-07-19 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural insight into the type-II mitochondrial NADH dehydrogenases. Nature, 491, 2012
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4L44
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![BU of 4l44 by Molmil](/molmil-images/mine/4l44) | Crystal structures of human p70S6K1-T389A (form II) | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... | Authors: | Wang, J, Zhong, C, Ding, J. | Deposit date: | 2013-06-07 | Release date: | 2013-07-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
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5KVT
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![BU of 5kvt by Molmil](/molmil-images/mine/5kvt) | THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB | Descriptor: | Entrectinib, GLYCEROL, High affinity nerve growth factor receptor | Authors: | Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M. | Deposit date: | 2016-07-15 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials To Be Published
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3R21
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![BU of 3r21 by Molmil](/molmil-images/mine/3r21) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | Descriptor: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | Deposit date: | 2011-03-11 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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4L42
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![BU of 4l42 by Molmil](/molmil-images/mine/4l42) | Crystal structures of human p70S6K1-PIF | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... | Authors: | Wang, J, Zhong, C, Ding, J. | Deposit date: | 2013-06-07 | Release date: | 2013-07-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
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8CIO
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![BU of 8cio by Molmil](/molmil-images/mine/8cio) | |
4FVJ
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4L46
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![BU of 4l46 by Molmil](/molmil-images/mine/4l46) | Crystal structures of human p70S6K1-WT | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... | Authors: | Wang, J, Zhong, C, Ding, J. | Deposit date: | 2013-06-07 | Release date: | 2013-07-24 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
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5L9A
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![BU of 5l9a by Molmil](/molmil-images/mine/5l9a) | L-threonine dehydrogenase from trypanosoma brucei. | Descriptor: | ACETATE ION, L-threonine 3-dehydrogenase | Authors: | Erskine, P.T, Cooper, J.B, Adjogatse, E, Kelly, J, Wood, S.P. | Deposit date: | 2016-06-09 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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5L16
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![BU of 5l16 by Molmil](/molmil-images/mine/5l16) | Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major | Descriptor: | Putative selenophosphate synthetase, SULFATE ION | Authors: | Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H. | Deposit date: | 2016-07-28 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase. Plos Negl Trop Dis, 14, 2020
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4L8C
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![BU of 4l8c by Molmil](/molmil-images/mine/4l8c) | Crystal structure of the H2Db in complex with the NP-N3D peptide | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Rossjohn, J, Gras, S. | Deposit date: | 2013-06-16 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides. Nat Commun, 4, 2013
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6EJX
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4LAL
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![BU of 4lal by Molmil](/molmil-images/mine/4lal) | Crystal structure of Cordyceps militaris IDCase D323A mutant in complex with 5-carboxyl-uracil | Descriptor: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ... | Authors: | Xu, S, Li, W, Zhu, J, Ding, J. | Deposit date: | 2013-06-20 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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4M8Y
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![BU of 4m8y by Molmil](/molmil-images/mine/4m8y) | GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | Authors: | Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. | Deposit date: | 2013-08-14 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions. J.Virol., 88, 2014
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7V9G
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![BU of 7v9g by Molmil](/molmil-images/mine/7v9g) | Native BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*TP*GP*C)-3') | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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7V9I
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![BU of 7v9i by Molmil](/molmil-images/mine/7v9i) | The Monomer mutant of BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*T)-3') | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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7V9H
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![BU of 7v9h by Molmil](/molmil-images/mine/7v9h) | The BEN3 domain of protein Bend3 | Descriptor: | BEN domain-containing protein 3 | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.692 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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4MF6
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![BU of 4mf6 by Molmil](/molmil-images/mine/4mf6) | Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with two glutathione molecules bound per one protein subunit | Descriptor: | BENZOIC ACID, GLUTATHIONE, Glutathione S-transferase domain | Authors: | Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-08-27 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with two glutathione molecules bound per one protein subunit To be Published
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7V9F
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![BU of 7v9f by Molmil](/molmil-images/mine/7v9f) | Selenomethionine mutant (L740Sem) of BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, CITRIC ACID, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), ... | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2022-03-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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