6HA4
 
 | | Crystal structure of PAF - p-sulfonatocalix[4]arene complex | | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, GLYCEROL, Pc24g00380 protein | | Authors: | Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B. | | Deposit date: | 2018-08-07 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Calixarene-mediated assembly of a small antifungal protein.
Iucrj, 6, 2019
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8B8V
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4IBJ
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4IBI
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.473 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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6I2C
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and Fasudil | | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ... | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2018-11-01 | | Release date: | 2019-05-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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6I7M
 | | Influenza A nucleoprotein docked into 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 4. | | Descriptor: | Nucleoprotein | | Authors: | Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Carlero, D, Ortin, J, Martin-Benito, J. | | Deposit date: | 2018-11-16 | | Release date: | 2020-02-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism.
Nat Microbiol, 5, 2020
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6IA2
 | | Crystal structure of a self-complementary RNA duplex recognized by Com | | Descriptor: | CHLORIDE ION, RNA (5'-R(*AP*GP*AP*GP*AP*AP*CP*CP*CP*GP*GP*AP*GP*UP*UP*CP*CP*CP*U)-3'), SULFATE ION | | Authors: | Nowacka, M, Fernandes, H, Kiliszek, A, Bernat, A, Lach, G, Bujnicki, J.M. | | Deposit date: | 2018-11-26 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Specific interaction of zinc finger protein Com with RNA and the crystal structure of a self-complementary RNA duplex recognized by Com.
Plos One, 14, 2019
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6I2A
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil | | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ... | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2018-11-01 | | Release date: | 2019-05-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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4IS1
 | | Crystal structure of ZNF217 bound to DNA | | Descriptor: | 5'-D(*AP*AP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', CHLORIDE ION, ... | | Authors: | Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P. | | Deposit date: | 2013-01-16 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New insights into DNA recognition by zinc fingers revealed by structural analysis of the oncoprotein ZNF217.
J.Biol.Chem., 288, 2013
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4JIZ
 | | Human Mob1-phosphopeptide complex | | Descriptor: | MOB kinase activator 1A, ZINC ION, phosphopeptide | | Authors: | Stach, L, Ogrodowicz, R.W, Rock, J.M, Lim, D, Yaffe, M.B, Amon, A, Smerdon, S.J. | | Deposit date: | 2013-03-07 | | Release date: | 2013-04-17 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Activation of the yeast Hippo pathway by phosphorylation-dependent assembly of signaling complexes.
Science, 340, 2013
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1HWO
 | | EBULIN COMPLEXED WITH LACTOSE, TRIGONAL CRYSTAL FORM | | Descriptor: | EBULIN, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Pascal, J.M, Day, P.J, Monzingo, A.F, Ernst, S.R, Robertus, J.D. | | Deposit date: | 2001-01-09 | | Release date: | 2001-01-24 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 2.8-A crystal structure of a nontoxic type-II ribosome-inactivating protein, ebulin l.
Proteins, 43, 2001
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3MWS
 | | Crystal Structure of Group N HIV-1 Protease | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease | | Authors: | Sayer, J.M, Agniswamy, J, Weber, I.T, Louis, J.M. | | Deposit date: | 2010-05-06 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: relevance to drug resistance.
Protein Sci., 19, 2010
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4D28
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5FQM
 | | Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase | | Descriptor: | GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION | | Authors: | Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M. | | Deposit date: | 2015-12-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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8R1L
 | | Structure of avian H5N1 influenza A polymerase in complex with human ANP32B. | | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member B, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Carrique, L, Staller, E, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | | Deposit date: | 2023-11-02 | | Release date: | 2024-05-08 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of H5N1 influenza polymerase with ANP32B reveal mechanisms of genome replication and host adaptation.
Nat Commun, 15, 2024
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2CCP
 | | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | | Deposit date: | 1990-02-28 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis.
Biochemistry, 29, 1990
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3R8W
 | | Structure of 3-isopropylmalate dehydrogenase isoform 2 from Arabidopsis thaliana at 2.2 angstrom resolution | | Descriptor: | 3-isopropylmalate dehydrogenase 2, chloroplastic, ACETATE ION | | Authors: | He, Y, Galant, A, Pang, Q, Strul, J.M, Balogun, S, Jez, J.M, Chen, S. | | Deposit date: | 2011-03-24 | | Release date: | 2011-06-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and functional evolution of isopropylmalate dehydrogenases in the leucine and glucosinolate pathways of Arabidopsis thaliana.
J.Biol.Chem., 286, 2011
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7L74
 | | Crystal structure of Beta-hexosyl transferase from Hamamotoa (Sporobolomyces) singularis bound to TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosyltransferase, ... | | Authors: | Dagher, S.F, Edwards, B.F.P, Meilleur, F, Bruno-Barcena, J.M. | | Deposit date: | 2020-12-25 | | Release date: | 2022-02-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and mutagenic analysis of the Beta-hexosyltransferase from Hamamotoa (Sporobolomyces) singularis
To Be Published
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4BTF
 | | Structure of MLKL | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MIXED LINEAGE KINASE DOMAIN-LIKE PROTEIN | | Authors: | Czabotar, P.E, Murphy, J.M. | | Deposit date: | 2013-06-16 | | Release date: | 2013-09-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | The Pseudokinase Mlkl Mediates Necroptosis Via a Molecular Switch Mechanism
Immunity, 39, 2013
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4F2J
 | | Crystal structure of ZNF217 bound to DNA, P6522 crystal form | | Descriptor: | 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', ZINC ION, Zinc finger protein 217 | | Authors: | Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P. | | Deposit date: | 2012-05-08 | | Release date: | 2013-02-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | New insights into DNA recognition by zinc fingers revealed by structural analysis of the oncoprotein ZNF217
J.Biol.Chem., 288, 2013
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1MII
 | | SOLUTION STRUCTURE OF ALPHA-CONOTOXIN MII | | Descriptor: | PROTEIN (ALPHA CONOTOXIN MII) | | Authors: | Hill, J.M, Oomen, C.J, Miranda, L.P, Bingham, J.P, Alewood, P.F, Craik, D.J. | | Deposit date: | 1998-10-05 | | Release date: | 1998-10-21 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of alpha-conotoxin MII by NMR spectroscopy: effects of solution environment on helicity.
Biochemistry, 37, 1998
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1U5M
 | | Structure of a Chordin-like Cysteine-rich Repeat (VWC module) from Collagen IIA | | Descriptor: | alpha 1 type II collagen isoform 1 | | Authors: | O'Leary, J.M, Hamilton, J.m, Deane, C.M, Valeyev, N.V, Sandell, L.J, Downing, A.K. | | Deposit date: | 2004-07-28 | | Release date: | 2004-10-05 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of a prototypical chordin-like cysteine-rich repeat (von Willebrand Factor type C module) from collagen IIA
J.Biol.Chem., 279, 2004
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5U3C
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5U6R
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6ME3
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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