2JO4
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![BU of 2jo4 by Molmil](/molmil-images/mine/2jo4) | Tetrameric structure of KIA7 peptide | Descriptor: | KIA7 | Authors: | Lopez de la Osa, J, Gonzalez, C, Laurents, D.V, Chakrabartty, A, Bateman, D.A. | Deposit date: | 2007-02-21 | Release date: | 2007-09-18 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Getting specificity from simplicity in putative proteins from the prebiotic earth. Proc.Natl.Acad.Sci.Usa, 104, 2007
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1H1W
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![BU of 1h1w by Molmil](/molmil-images/mine/1h1w) | High resolution crystal structure of the human PDK1 catalytic domain | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Biondi, R.M, Komander, D, Thomas, C.C, Lizcano, J.M, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2002-07-23 | Release date: | 2003-07-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High Resolution Crystal Structure of the Human Pdk1 Catalytic Domain Defines the Regulatory Phosphopeptide Docking Site Embo J., 21, 2003
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2N85
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![BU of 2n85 by Molmil](/molmil-images/mine/2n85) | NMR structure of OtTx1a - AMP in DPC micelles | Descriptor: | Spiderine-1a | Authors: | Nadezhdin, K, Romanovskaya, D, Sachkova, M, Vassilevski, A, Grishin, E, Kovalchuk, S, Arseniev, A. | Deposit date: | 2015-10-05 | Release date: | 2016-10-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Modular toxin from the lynx spider Oxyopes takobius: Structure of spiderine domains in solution and membrane-mimicking environment. Protein Sci., 26, 2017
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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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3R0N
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![BU of 3r0n by Molmil](/molmil-images/mine/3r0n) | Crystal Structure of the Immunoglobulin variable domain of Nectin-2 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Poliovirus receptor-related protein 2 | Authors: | Ramagopal, U.A, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2011-03-08 | Release date: | 2011-04-27 | Last modified: | 2012-11-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Nectin-2 reveals determinants of homophilic and heterophilic interactions that control cell-cell adhesion. Proc.Natl.Acad.Sci.USA, 109, 2012
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2F1F
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![BU of 2f1f by Molmil](/molmil-images/mine/2f1f) | Crystal structure of the regulatory subunit of acetohydroxyacid synthase isozyme III from E. coli | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Acetolactate synthase isozyme III small subunit, MAGNESIUM ION, ... | Authors: | Kaplun, A, Vyazmensky, M, Barak, Z, Chipman, D.M, Shaanan, B. | Deposit date: | 2005-11-14 | Release date: | 2006-01-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the Regulatory Subunit of Acetohydroxyacid Synthase Isozyme III from Escherichia coli. J.Mol.Biol., 357, 2006
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1PO2
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![BU of 1po2 by Molmil](/molmil-images/mine/1po2) | POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R77975, AN INHIBITOR OF VIRAL REPLICATION | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | Authors: | Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M. | Deposit date: | 1997-01-08 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced conformational changes in poliovirus-antiviral drug complexes. Acta Crystallogr.,Sect.D, 53, 1997
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6HEJ
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![BU of 6hej by Molmil](/molmil-images/mine/6hej) | Structure of human USP28 | Descriptor: | SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 28 | Authors: | Gersch, M, Komander, D. | Deposit date: | 2018-08-20 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity. Mol.Cell, 74, 2019
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1JU6
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![BU of 1ju6 by Molmil](/molmil-images/mine/1ju6) | Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ... | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-23 | Release date: | 2001-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
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3RQ3
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![BU of 3rq3 by Molmil](/molmil-images/mine/3rq3) | Structure of T-cell immunoreceptor with immunoglobulin and ITIM domains (TIGIT) in hexagonal crystal form | Descriptor: | CHLORIDE ION, T cell immunoreceptor with Ig and ITIM domains | Authors: | Ramagopal, U.A, Rubinstein, R, Guo, H, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2011-04-27 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of T-cell immunoreceptor with immunoglobulin and ITIM domains (TIGIT) in hexagonal crystal form To be published
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3MJX
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![BU of 3mjx by Molmil](/molmil-images/mine/3mjx) | Crystal structure of myosin-2 motor domain in complex with ADP-Metavanadate and blebbistatin | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, ADP METAVANADATE, MAGNESIUM ION, ... | Authors: | Fedorov, R, Baruch, P, Bauer, S, Manstein, D.J. | Deposit date: | 2010-04-13 | Release date: | 2011-04-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The mechanism of pentabromopseudilin inhibition of myosin motor activity. Nat.Struct.Mol.Biol., 16, 2009
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1HA5
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![BU of 1ha5 by Molmil](/molmil-images/mine/1ha5) | Structural features of a zinc-binding site in the superantigen streptococcal pyrogenic exotoxin A (SpeA1): implications for MHC class II recognition. | Descriptor: | STREPTOCOCCAL PYOGENIC EXOTOXIN A1, ZINC ION | Authors: | Baker, M.D, Gutman, D.M, Papageorgiou, A.C, Collins, C.M, Acharya, K.R. | Deposit date: | 2001-03-28 | Release date: | 2002-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structural Features of a Zinc Binding Site in the Superantigen Strepococcal Pyrogenic Exotoxin a (Spea1): Implications for Mhc Class II Recognition. Protein Sci., 10, 2001
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7PEQ
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![BU of 7peq by Molmil](/molmil-images/mine/7peq) | Model of the outer rings of the human nuclear pore complex | Descriptor: | Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133, Nuclear pore complex protein Nup160, ... | Authors: | Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U. | Deposit date: | 2021-08-11 | Release date: | 2021-10-20 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The cellular environment shapes the nuclear pore complex architecture. Nature, 598, 2021
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4KVS
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![BU of 4kvs by Molmil](/molmil-images/mine/4kvs) | Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant A134F) | Descriptor: | Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID | Authors: | Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S. | Deposit date: | 2013-05-23 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase. Chembiochem, 14, 2013
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4MF3
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![BU of 4mf3 by Molmil](/molmil-images/mine/4mf3) | Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist | Descriptor: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1 | Authors: | Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L. | Deposit date: | 2013-08-27 | Release date: | 2014-05-07 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy. Bioorg.Med.Chem.Lett., 23, 2013
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7NW2
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![BU of 7nw2 by Molmil](/molmil-images/mine/7nw2) | Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium | Deposit date: | 2021-03-16 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor. Cell Chem Biol, 28, 2021
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3PHU
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![BU of 3phu by Molmil](/molmil-images/mine/3phu) | OTU Domain of Crimean Congo Hemorrhagic Fever Virus | Descriptor: | GLYCEROL, RNA-directed RNA polymerase L | Authors: | Akutsu, M, Ye, Y, Virdee, S, Komander, D. | Deposit date: | 2010-11-04 | Release date: | 2011-02-02 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains. Proc.Natl.Acad.Sci.USA, 108, 2011
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2N86
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![BU of 2n86 by Molmil](/molmil-images/mine/2n86) | NMR structure of OtTx1a - ICK | Descriptor: | Spiderine-1a | Authors: | Nadezhdin, K, Romanovskaya, D, Sachkova, M, Vassilevski, A, Grishin, E, Kovalchuk, S, Arseniev, A. | Deposit date: | 2015-10-05 | Release date: | 2016-10-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Modular toxin from the lynx spider Oxyopes takobius: Structure of spiderine domains in solution and membrane-mimicking environment. Protein Sci., 26, 2017
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6HEH
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![BU of 6heh by Molmil](/molmil-images/mine/6heh) | Structure of the catalytic domain of USP28 (insertion deleted) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 28,Ubiquitin carboxyl-terminal hydrolase 28 | Authors: | Gersch, M, Komander, D. | Deposit date: | 2018-08-20 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity. Mol.Cell, 74, 2019
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6HEI
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![BU of 6hei by Molmil](/molmil-images/mine/6hei) | |
4JIT
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![BU of 4jit by Molmil](/molmil-images/mine/4jit) | Crystal Structure of E. coli XGPRT in complex with (S)-3-(Guanin-9-yl)pyrrolidin-N-ylacetylphosphonic acid | Descriptor: | Xanthine phosphoribosyltransferase, {2-[(3S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid | Authors: | Keough, D.T, Hockova, D, Rejman, D, Spacek, P, Vrbkova, S, Krecmerova, M, Eng, W.S, Jans, H, West, N.P, Naesens, L.M.J, de Jersey, J, Guddat, L.W. | Deposit date: | 2013-03-07 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents. J.Med.Chem., 56, 2013
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6HEL
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![BU of 6hel by Molmil](/molmil-images/mine/6hel) | Structure of human USP25 | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 25 | Authors: | Gersch, M, Komander, D. | Deposit date: | 2018-08-20 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.941 Å) | Cite: | Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity. Mol.Cell, 74, 2019
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2NT4
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![BU of 2nt4 by Molmil](/molmil-images/mine/2nt4) | Receiver domain from Myxococcus xanthus social motility protein FrzS (H92F mutant) | Descriptor: | CHLORIDE ION, Response regulator homolog | Authors: | Echols, N, Fraser, J, Weisfield, S, Merlie, J, Zusman, D, Alber, T. | Deposit date: | 2006-11-06 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | An atypical receiver domain controls the dynamic polar localization of the Myxococcus xanthus social motility protein FrzS. Mol.Microbiol., 65, 2007
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1JOC
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![BU of 1joc by Molmil](/molmil-images/mine/1joc) | EEA1 homodimer of C-terminal FYVE domain bound to inositol 1,3-diphosphate | Descriptor: | Early Endosomal Autoantigen 1, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, ZINC ION | Authors: | Dumas, J.J, Merithew, E, Rajamani, D, Hayes, S, Lawe, D, Corvera, S, Lambright, D.G. | Deposit date: | 2001-07-27 | Release date: | 2001-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multivalent endosome targeting by homodimeric EEA1. Mol.Cell, 8, 2001
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1Z1G
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![BU of 1z1g by Molmil](/molmil-images/mine/1z1g) | Crystal structure of a lambda integrase tetramer bound to a Holliday junction | Descriptor: | 25-MER, 29-MER, 5'-D(*AP*CP*AP*GP*GP*TP*CP*AP*CP*TP*AP*TP*CP*AP*GP*TP*CP*AP*AP*AP*AP*TP*AP*CP*C)-3', ... | Authors: | Biswas, T, Aihara, H, Radman-Livaja, M, Filman, D, Landy, A, Ellenberger, T. | Deposit date: | 2005-03-03 | Release date: | 2005-06-28 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | A structural basis for allosteric control of DNA recombination by lambda integrase. Nature, 435, 2005
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