7PPN
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![BU of 7ppn by Molmil](/molmil-images/mine/7ppn) | SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195) | Descriptor: | GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Sok, P, Zeke, A, Remenyi, A. | Deposit date: | 2021-09-14 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling. Nat Commun, 13, 2022
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7PEG
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![BU of 7peg by Molmil](/molmil-images/mine/7peg) | Structure of the sporulation/germination protein YhcN from Bacillus subtilis | Descriptor: | Probable spore germination lipoprotein YhcN | Authors: | Liu, B, Chan, H, Bauda, E, Contreras-Martel, C, Bellard, L, Villard, A.M, Mas, C, Neumann, E, Fenel, D, Favier, A, Serrano, M, Henriques, A.O.H, Rodrigues, C.D.A, Morlot, C. | Deposit date: | 2021-08-10 | Release date: | 2022-08-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural insights into ring-building motif domains involved in bacterial sporulation. J.Struct.Biol., 214, 2022
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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4RLL
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![BU of 4rll by Molmil](/molmil-images/mine/4rll) | Crystal structure of human CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate | Descriptor: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, Casein kinase II subunit alpha, GLYCEROL | Authors: | Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G. | Deposit date: | 2014-10-17 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells. Cancer Lett, 356, 2015
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4RN7
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![BU of 4rn7 by Molmil](/molmil-images/mine/4rn7) | The crystal structure of N-acetylmuramoyl-L-alanine amidase from Clostridium difficile 630 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, GLYCEROL, ... | Authors: | Tan, K, Mulligan, R, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-23 | Release date: | 2014-11-05 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | The crystal structure of N-acetylmuramoyl-L-alanine amidase from Clostridium difficile 630 To be Published
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7OJX
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![BU of 7ojx by Molmil](/molmil-images/mine/7ojx) | E2 UBE2K covalently linked to donor Ub, acceptor di-Ub, and RING E3 primed for K48-linked Ub chain synthesis | Descriptor: | 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), E3 ubiquitin-protein ligase RNF38, Polyubiquitin-B, ... | Authors: | Majorek, K.A, Nakasone, M.A, Huang, D.T. | Deposit date: | 2021-05-17 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of UBE2K-Ub/E3/polyUb reveals mechanisms of K48-linked Ub chain extension. Nat.Chem.Biol., 18, 2022
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4RR7
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![BU of 4rr7 by Molmil](/molmil-images/mine/4rr7) | N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA (snapshot 2) | Descriptor: | MAGNESIUM ION, Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE | Authors: | Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | Deposit date: | 2014-11-06 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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4RRG
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![BU of 4rrg by Molmil](/molmil-images/mine/4rrg) | Editing domain of threonyl-tRNA synthetase from Methanococcus jannaschii with L-Thr3AA | Descriptor: | 3'-deoxy-3'-(L-threonylamino)adenosine, Threonine--tRNA ligase | Authors: | Ahmad, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | Deposit date: | 2014-11-06 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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7NUY
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![BU of 7nuy by Molmil](/molmil-images/mine/7nuy) | |
6N8M
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![BU of 6n8m by Molmil](/molmil-images/mine/6n8m) | Cryo-EM structure of pre-Lsg1 (PL) pre-60S ribosomal subunit | Descriptor: | 5.8S RNA, 5S rRNA, 60S ribosomal export protein NMD3, ... | Authors: | Zhou, Y, Musalgaonkar, S, Johnson, A.W, Taylor, D.W. | Deposit date: | 2018-11-29 | Release date: | 2019-03-13 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Tightly-orchestrated rearrangements govern catalytic center assembly of the ribosome. Nat Commun, 10, 2019
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7O4G
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![BU of 7o4g by Molmil](/molmil-images/mine/7o4g) | Human phosphomannomutase 2 (PMM2) wild-type soaked with the activator glucose 1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | Deposit date: | 2021-04-06 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures. J Inherit Metab Dis, 45, 2022
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4S3C
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![BU of 4s3c by Molmil](/molmil-images/mine/4s3c) | IspG in complex with Epoxide Intermediate | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-05-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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7O1B
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![BU of 7o1b by Molmil](/molmil-images/mine/7o1b) | Human phosphomannomutase 2 (PMM2) wild-type co-crystallized with the activator glucose 1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | Deposit date: | 2021-03-29 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures. J Inherit Metab Dis, 45, 2022
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7O58
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![BU of 7o58 by Molmil](/molmil-images/mine/7o58) | Human phosphomannomutase 2 (PMM2) with mutation T237M in complex with the activator glucose 1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | Deposit date: | 2021-04-08 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures. J Inherit Metab Dis, 45, 2022
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7OGU
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![BU of 7ogu by Molmil](/molmil-images/mine/7ogu) | Plant peptide hormone receptor complex H1C9S1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roman, A.O, Jimenez-Sandoval, P, Santiago, J. | Deposit date: | 2021-05-07 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.872 Å) | Cite: | HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides. Nat Commun, 13, 2022
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7OGO
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![BU of 7ogo by Molmil](/molmil-images/mine/7ogo) | Plant peptide hormone receptor H1I1S1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roman, A.O, Jimenez-Sandoval, P, Santiago, J. | Deposit date: | 2021-05-07 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides. Nat Commun, 13, 2022
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4RKD
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![BU of 4rkd by Molmil](/molmil-images/mine/4rkd) | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with aspartic acid | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aromatic amino acid aminotransferase, ... | Authors: | Bujacz, A, Rutkiewicz-Krotewicz, M, Bujacz, G, Nowakowska-Sapota, K, Turkiewicz, M. | Deposit date: | 2014-10-12 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Crystal structure and enzymatic properties of a broad substrate-specificity psychrophilic aminotransferase from the Antarctic soil bacterium Psychrobacter sp. B6. Acta Crystallogr.,Sect.D, 71, 2015
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6N8N
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![BU of 6n8n by Molmil](/molmil-images/mine/6n8n) | Cryo-EM structure of Lsg1-engaged (LE) pre-60S ribosomal subunit | Descriptor: | 5.8S rRNA, 5S rRNA, 60S ribosomal export protein NMD3, ... | Authors: | Zhou, Y, Musalgaonkar, S, Johnson, A.W, Taylor, D.W. | Deposit date: | 2018-11-29 | Release date: | 2019-03-13 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Tightly-orchestrated rearrangements govern catalytic center assembly of the ribosome. Nat Commun, 10, 2019
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4RZ0
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![BU of 4rz0 by Molmil](/molmil-images/mine/4rz0) | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c | Descriptor: | PFL0690c, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-17 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.487 Å) | Cite: | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c To be Published
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4S0J
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![BU of 4s0j by Molmil](/molmil-images/mine/4s0j) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123V mutant | Descriptor: | Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-31 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
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7NVP
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![BU of 7nvp by Molmil](/molmil-images/mine/7nvp) | Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ... | Authors: | Battista, T, Fiorillo, A, Colotti, G, Ilari, A. | Deposit date: | 2021-03-15 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach. Acs Infect Dis., 8, 2022
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4S1K
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![BU of 4s1k by Molmil](/molmil-images/mine/4s1k) | Structure of Uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 100 K | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Ginn, H.M, Messerschmidt, M, Ji, X, Zhang, H, Axford, D, Gildea, R.J, Winter, G, Brewster, A.S, Hattne, J, Wagner, A, Grimes, J.M, Evans, G, Sauter, N.K, Sutton, G, Stuart, D.I. | Deposit date: | 2015-01-14 | Release date: | 2015-03-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data. Nat Commun, 6, 2015
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4S25
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![BU of 4s25 by Molmil](/molmil-images/mine/4s25) | Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Zn (trigonal crystal form) | Descriptor: | 1,4-BUTANEDIOL, 1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole, CHLORIDE ION, ... | Authors: | Fenwick, M.K, Mehta, A.P, Zhang, Y, Abdelwahed, S, Begley, T.P, Ealick, S.E. | Deposit date: | 2015-01-19 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase. Nat Commun, 6
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4S2G
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![BU of 4s2g by Molmil](/molmil-images/mine/4s2g) | Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 5.8 | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Kovalevsky, A, Wan, Q, Langan, P. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2019-12-25 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RVT
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![BU of 4rvt by Molmil](/molmil-images/mine/4rvt) | MAP4K4 in complex with a pyridin-2(1H)-one derivative | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Richters, A, Becker, C, Kleine, S, Rauh, D. | Deposit date: | 2014-11-27 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4. Angew.Chem.Int.Ed.Engl., 54, 2015
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