6S1W
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![BU of 6s1w by Molmil](/molmil-images/mine/6s1w) | Crystal structure of dimeric M-PMV protease D26N mutant | Descriptor: | Gag-Pro-Pol polyprotein | Authors: | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | Deposit date: | 2019-06-19 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
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6WP4
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![BU of 6wp4 by Molmil](/molmil-images/mine/6wp4) | Pyruvate Kinase M2 mutant-S37E | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Nandi, S, Razzaghi, M, Srivastava, D, Dey, M. | Deposit date: | 2020-04-26 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation. J.Biol.Chem., 295, 2020
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8PCF
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![BU of 8pcf by Molmil](/molmil-images/mine/8pcf) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 500 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCK
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![BU of 8pck by Molmil](/molmil-images/mine/8pck) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 0 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCD
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![BU of 8pcd by Molmil](/molmil-images/mine/8pcd) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 150 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCJ
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![BU of 8pcj by Molmil](/molmil-images/mine/8pcj) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 10000 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCL
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![BU of 8pcl by Molmil](/molmil-images/mine/8pcl) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 50 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION, ... | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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7TXH
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![BU of 7txh by Molmil](/molmil-images/mine/7txh) | Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca | Descriptor: | GLYCEROL, Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, ... | Authors: | Hauseman, Z.J, Viscomi, J, Dhembi, A, Clark, K, King, D.A, Fodor, M. | Deposit date: | 2022-02-09 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the MRAS-SHOC2-PP1C phosphatase complex. Nature, 609, 2022
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8HLE
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![BU of 8hle by Molmil](/molmil-images/mine/8hle) | Structure of DddY-DMSOP complex | Descriptor: | 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, DMSP lyase DddY, ZINC ION | Authors: | Peng, M, Li, C.Y, Zhang, Y.Z. | Deposit date: | 2022-11-30 | Release date: | 2023-10-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms. Nat Microbiol, 8, 2023
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6GA6
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![BU of 6ga6 by Molmil](/molmil-images/mine/6ga6) | Bacteriorhodopsin, 10 ps state, real-space refined against 10% extrapolated map | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6WH5
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![BU of 6wh5 by Molmil](/molmil-images/mine/6wh5) | Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to cob(II)alamin and PPPi | Descriptor: | COBALAMIN, Corrinoid adenosyltransferase, MAGNESIUM ION, ... | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2020-04-07 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 . Proc.Natl.Acad.Sci.USA, 117, 2020
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6GAG
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![BU of 6gag by Molmil](/molmil-images/mine/6gag) | BACTERIORHODOPSIN, 630 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6NB3
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![BU of 6nb3 by Molmil](/molmil-images/mine/6nb3) | MERS-CoV complex with human neutralizing LCA60 antibody Fab fragment (state 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCA60 heavy chain, ... | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
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5HNZ
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![BU of 5hnz by Molmil](/molmil-images/mine/5hnz) | Structural basis of backwards motion in kinesin-14: plus-end directed nKn669 in the nucleotide-free state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Shigematsu, H, Yokoyama, T, Kikkawa, M, Shirouzu, M, Nitta, R. | Deposit date: | 2016-01-19 | Release date: | 2016-08-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Structural Basis of Backwards Motion in Kinesin-1-Kinesin-14 Chimera: Implication for Kinesin-14 Motility Structure, 24, 2016
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1DOD
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![BU of 1dod by Molmil](/molmil-images/mine/1dod) | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | Descriptor: | 2,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1994-09-06 | Release date: | 1994-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The mobile flavin of 4-OH benzoate hydroxylase. Science, 266, 1994
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8HLF
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![BU of 8hlf by Molmil](/molmil-images/mine/8hlf) | Crystal structure of DddK-DMSOP complex | Descriptor: | 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, MANGANESE (II) ION, Novel protein with potential Cupin domain | Authors: | Peng, M, Li, C.Y, Zhang, Y.Z. | Deposit date: | 2022-11-30 | Release date: | 2023-10-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms. Nat Microbiol, 8, 2023
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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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6WFJ
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![BU of 6wfj by Molmil](/molmil-images/mine/6wfj) | 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: | 2020-04-03 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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3MQI
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![BU of 3mqi by Molmil](/molmil-images/mine/3mqi) | Human early B-cell factor 1 (EBF1) IPT/TIG domain | Descriptor: | ETHYL MERCURY ION, Transcription factor COE1, trimethylamine oxide | Authors: | Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schueler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-28 | Release date: | 2010-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif. J.Biol.Chem., 285, 2010
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6WN4
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![BU of 6wn4 by Molmil](/molmil-images/mine/6wn4) | Structural basis for the binding of monoclonal antibody 5D2 to the tryptophan-rich lipid-binding loop in lipoprotein lipase | Descriptor: | 5D2 FAB HEAVY CHAIN, 5D2 FAB LIGHT CHAIN, Lipoprotein lipase peptide | Authors: | Luz, J.G, Birrane, G, Young, S.G, Meiyappan, M, Ploug, M. | Deposit date: | 2020-04-22 | Release date: | 2020-07-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structural basis for monoclonal antibody 5D2 binding to the tryptophan-rich loop of lipoprotein lipase. J.Lipid Res., 61, 2020
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8OWZ
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![BU of 8owz by Molmil](/molmil-images/mine/8owz) | Crystal structure of human Sirt2 in complex with a triazole-based SirReal | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ... | Authors: | Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M. | Deposit date: | 2023-04-28 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J.Med.Chem., 66, 2023
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6WNL
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![BU of 6wnl by Molmil](/molmil-images/mine/6wnl) | human Artemis/SNM1C catalytic domain, crystal form 2 | Descriptor: | Protein artemis, ZINC ION | Authors: | Karim, F, Liu, S, Laciak, A.R, Volk, L, Rosenblum, M, Curtis, R, Huang, N, Carr, G, Zhu, G. | Deposit date: | 2020-04-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural analysis of the catalytic domain of Artemis endonuclease/SNM1C reveals distinct structural features. J.Biol.Chem., 295, 2020
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5DXH
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![BU of 5dxh by Molmil](/molmil-images/mine/5dxh) | p110alpha/p85alpha with compound 5 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | Deposit date: | 2015-09-23 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J.Med.Chem., 59, 2016
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6IC0
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![BU of 6ic0 by Molmil](/molmil-images/mine/6ic0) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | Descriptor: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg. Med. Chem. Lett., 29, 2019
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8OL6
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![BU of 8ol6 by Molmil](/molmil-images/mine/8ol6) | Murine type II Abeta fibril from tgAPPSwe mouse | Descriptor: | Amyloid-beta protein 42 | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | Deposit date: | 2023-03-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease. Nat.Neurosci., 26, 2023
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