6SMA
 
 | | Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ... | | Authors: | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | | Deposit date: | 2019-08-21 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
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3RHX
 | | Crystal structure of the catalytic domain of FGFR1 kinase in complex with ARQ 069 | | Descriptor: | (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine, 1,2-ETHANEDIOL, Basic fibroblast growth factor receptor 1, ... | | Authors: | Eathiraj, S, Palma, R, Hirschi, M, Volckova, E, Nakuci, E, Castro, J, Chen, C.R, Chan, T.C, France, D.S, Ashwell, M.A. | | Deposit date: | 2011-04-12 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A novel mode of protein kinase inhibition exploiting hydrophobic motifs of autoinhibited kinases: discovery of ATP-independent inhibitors of fibroblast growth factor receptor.
J.Biol.Chem., 286, 2011
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4KFQ
 | | Crystal structure of the NMDA receptor GluN1 ligand binding domain in complex with 1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one | | Descriptor: | 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one, GLYCEROL, Glutamate receptor ionotropic, ... | | Authors: | Steffensen, T.B, Tabrizi, F.M, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-04-27 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and pharmacological characterization of a novel N-methyl-D-aspartate (NMDA) receptor antagonist at the GluN1 glycine binding site.
J.Biol.Chem., 288, 2013
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4P58
 | | Crystal structure of mouse comt bound to an inhibitor | | Descriptor: | 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole, Catechol O-methyltransferase | | Authors: | Lanier, M. | | Deposit date: | 2014-03-15 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
J.Med.Chem., 57, 2014
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6SJ6
 | | Cryo-EM structure of 50S-RsfS complex from Staphylococcus aureus | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Khusainov, I, Pellegrino, S, Yusupova, G, Yusupov, M, Fatkhullin, B. | | Deposit date: | 2019-08-12 | | Release date: | 2020-04-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach.
Nat Commun, 11, 2020
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3DOH
 | | Crystal Structure of a Thermostable Esterase | | Descriptor: | SULFATE ION, esterase | | Authors: | Levisson, M, Sun, L, Hendriks, S, Dijkstra, B.W, Van der Oost, J, Kengen, S.W.M. | | Deposit date: | 2008-07-04 | | Release date: | 2009-02-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure and biochemical properties of a novel thermostable esterase containing an immunoglobulin-like domain.
J.Mol.Biol., 385, 2009
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1KGD
 | | Crystal Structure of the Guanylate Kinase-like Domain of Human CASK | | Descriptor: | FORMIC ACID, PERIPHERAL PLASMA MEMBRANE CASK | | Authors: | Li, Y, Spangenberg, O, Paarmann, I, Konrad, M, Lavie, A. | | Deposit date: | 2001-11-26 | | Release date: | 2001-12-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.314 Å) | | Cite: | Structural basis for nucleotide-dependent regulation of membrane-associated guanylate kinase-like domains.
J.Biol.Chem., 277, 2002
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2OJ8
 | | NMR structure of the UGUU tetraloop of Duck Epsilon apical stem loop of the Hepatitis B virus | | Descriptor: | 5'-R(P*GP*CP*UP*GP*UP*UP*GP*U)-3' | | Authors: | Girard, F.C, Ottink, O.M, Ampt, K.A.M, Tessari, M, Wijmenga, S.S. | | Deposit date: | 2007-01-12 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Thermodynamics and NMR studies on Duck, Heron and Human HBV encapsidation signals.
Nucleic Acids Res., 35, 2007
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1KGP
 | | R2F from Corynebacterium Ammoniagenes in its Mn substituted form | | Descriptor: | MANGANESE (II) ION, Ribonucleotide reductase protein R2F | | Authors: | Hogbom, M, Huque, Y, Sjoberg, B.M, Nordlund, P. | | Deposit date: | 2001-11-28 | | Release date: | 2001-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the di-iron/radical protein of ribonucleotide reductase from Corynebacterium ammoniagenes.
Biochemistry, 41, 2002
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6SP5
 | | Structure of hyperstable haloalkane dehalogenase variant DhaA115 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ... | | Authors: | Chmelova, K, Markova, K, Damborsky, J, Marek, M. | | Deposit date: | 2019-08-30 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
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3DT5
 | | C_terminal domain of protein of unknown function AF_0924 from Archaeoglobus fulgidus. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Uncharacterized protein AF_0924 | | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-07-14 | | Release date: | 2008-07-29 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | X-ray crystal structure of C_terminal domain of protein of unknown function AF_0924 from Archaeoglobus fulgidus.
To be Published
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4KL7
 | | Crystal structure of the catalytic domain of RpfB from Mycobacterium tuberculosis | | Descriptor: | Resuscitation-promoting factor RpfB, SULFATE ION | | Authors: | Squeglia, F, Romano, M, Ruggiero, A, Berisio, R. | | Deposit date: | 2013-05-07 | | Release date: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Carbohydrate Recognition by RpfB from Mycobacterium tuberculosis Unveiled by Crystallographic and Molecular Dynamics Analyses.
Biophys.J., 104, 2013
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6SLA
 | | Crystal structure of isomerase PaaG mutant - D136N with Oxepin-CoA | | Descriptor: | Enoyl-CoA hydratase/carnithine racemase, ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate | | Authors: | Saleem-Batcha, R, Spieker, M, Teufel, R. | | Deposit date: | 2019-08-19 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
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6SLJ
 | | Structure of the RagAB peptide transporter | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ALA-SER-THR-THR-GLY-ALA-ASN-SER-GLN-ARG, ... | | Authors: | Madej, M, Ranson, N.A, White, J.B.R. | | Deposit date: | 2019-08-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
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6G71
 | | Structure of CYP1232A24 from Arthrobacter sp. | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ... | | Authors: | Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G. | | Deposit date: | 2018-04-04 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine.
J.Biochem., 166, 2019
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6GAZ
 | | Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 28S ribosomal subunit. | | Descriptor: | 12S ribosomal RNA, mitochondrial, 28S ribosomal protein S18b, ... | | Authors: | Kummer, E, Leibundgut, M, Boehringer, D, Ban, N. | | Deposit date: | 2018-04-13 | | Release date: | 2018-08-08 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
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4KLV
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with 4-methylumbelliferyl phosphate | | Descriptor: | 1,2-ETHANEDIOL, 4-methylumbelliferyl phosphate, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
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3P7T
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4KSC
 | | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | | Descriptor: | Multidrug resistance protein 1A | | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | | Deposit date: | 2013-05-17 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3OS9
 | | Estrogen Receptor | | Descriptor: | 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor | | Authors: | Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
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3DQX
 | | chicken c-Src kinase domain in complex with ATPgS | | Descriptor: | ADENOSINE MONOPHOSPHATE, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q. | | Deposit date: | 2008-07-09 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Activation of tyrosine kinases by mutation of the gatekeeper threonine.
Nat.Struct.Mol.Biol., 15, 2008
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4HGJ
 | | Crystal structure of P450 BM3 5F5 heme domain variant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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3P98
 | | The crystal structure of the extended spectrum beta-lactamase TEM-72 reveals inhibition by citrate | | Descriptor: | Beta-lactamase TEM-72, CITRIC ACID, DI(HYDROXYETHYL)ETHER | | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Rossolini, G.M, Mangani, S. | | Deposit date: | 2010-10-16 | | Release date: | 2011-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the extended-spectrum [beta]-lactamase TEM-72 inhibited by citrate
Acta Crystallogr.,Sect.F, 67, 2011
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3DRU
 | | Crystal Structure of Gly117Phe Alpha1-Antitrypsin | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design.
J.Mol.Biol., 387, 2009
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6G9L
 | | Structure of homomeric mLRRC8A volume-regulated anion channel at 5.01 A resolution | | Descriptor: | Volume-regulated anion channel subunit LRRC8A | | Authors: | Sawicka, M, Deneka, D, Lam, A.K.M, Paulino, C, Dutzler, R. | | Deposit date: | 2018-04-11 | | Release date: | 2018-05-16 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (5.01 Å) | | Cite: | Structure of a volume-regulated anion channel of the LRRC8 family.
Nature, 558, 2018
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