5CFL
| Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p] | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CITRATE ANION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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6N4Y
| Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43 | Descriptor: | 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, Metabotropic glutamate receptor 5, ... | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.262 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
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5FVD
| Human metapneumovirus N0-P complex | Descriptor: | CHLORIDE ION, NUCLEOCAPSID, PHOSPHOPROTEIN | Authors: | Renner, M, Bertinelli, M, Leyrat, C, Paesen, G.C, Saraiva de Oliveira, L.F, Huiskonen, J.T, Grimes, J.M. | Deposit date: | 2016-02-05 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Nucleocapsid assembly in pneumoviruses is regulated by conformational switching of the N protein. Elife, 5, 2016
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5FF4
| HydE from T. maritima in complex with (2R,4R)-TMeTDA | Descriptor: | (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5G18
| Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE CTX-M-97, SULFATE ION | Authors: | Vandavasi, V.G, Weiss, K.L, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L. | Deposit date: | 2016-03-23 | Release date: | 2016-11-09 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate. Antimicrob. Agents Chemother., 61, 2017
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5CFR
| Crystal structure of anemone STING (Nematostella vectensis) in apo 'unrotated' closed conformation | Descriptor: | CALCIUM ION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5FEZ
| HydE from T. maritima in complex with (2R,4R)-MeSeTDA, 5'-deoxyadenosine and methionine | Descriptor: | (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, ... | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5FQK
| W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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6NCE
| Crystal structure of the human FOXN3 DNA binding domain in complex with a forkhead DNA sequence | Descriptor: | DNA (5'-D(*AP*CP*AP*TP*TP*GP*TP*TP*TP*AP*CP*TP*TP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*AP*AP*GP*TP*AP*AP*AP*CP*AP*AP*TP*G)-3'), Forkhead box protein N3, ... | Authors: | Rogers, J.M, Jarrett, S.M, Seegar, T.C, Waters, C.T, Hallworth, A.N, Blacklow, S.C, Bulyk, M.L. | Deposit date: | 2018-12-11 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Bispecific Forkhead Transcription Factor FoxN3 Recognizes Two Distinct Motifs with Different DNA Shapes. Mol. Cell, 74, 2019
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6NCG
| Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor | Descriptor: | 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide, SULFATE ION, Serine/threonine-protein kinase VRK2 | Authors: | dos Reis, C.V, Chiodi, C.G, de Souza, G.P, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Counago, R.M, Massirer, K.B, Elkins, J.M, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-11 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor To Be Published
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2WLL
| POTASSIUM CHANNEL FROM BURKHOLDERIA PSEUDOMALLEI | Descriptor: | DIUNDECYL PHOSPHATIDYL CHOLINE, MAGNESIUM ION, POTASSIUM CHANNEL, ... | Authors: | Clarke, O.B, Caputo, A.T, Hill, A.P, VandenBerg, J.I, Smith, B.J, Gulbis, J.M. | Deposit date: | 2009-06-24 | Release date: | 2010-06-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels. Cell(Cambridge,Mass.), 141, 2010
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6NRH
| Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63 | Descriptor: | 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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5CFQ
| Crystal structure of anemone STING (Nematostella vectensis) in complex with 2',3' cGAMP, c[G(2',5')pA(3',5')p] | Descriptor: | SULFATE ION, Stimulator of Interferon Genes, cGAMP | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5GLA
| Crystal structure of the class A beta-lactamase PenL-tTR10 containing 10 residues insertion in omega-loop | Descriptor: | Beta-lactamase | Authors: | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | Deposit date: | 2016-07-10 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL Sci Rep, 6, 2016
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5CFM
| Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' cGAMP, c[G(3', 5')pA(3', 5')p] | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CITRATE ANION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5GL9
| Crystal structure of the class A beta-lactamase PenL | Descriptor: | Beta-lactamase, GLYCEROL | Authors: | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | Deposit date: | 2016-07-10 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL Sci Rep, 6, 2016
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6NO8
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6NOK
| The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution | Descriptor: | Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION | Authors: | Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2019-01-16 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution To Be Published
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6NRJ
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93 | Descriptor: | (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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6NTU
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5K8V
| Crystal Structure of Mus musculus Protein Arginine Methyltransferase 4 (CARM1 130-487) with CP1 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-05-31 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors. FEBS J., 284, 2017
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6O04
| M.tb MenD IntII bound with Inhibitor | Descriptor: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | Authors: | Johnston, J.M, Bashiri, G, Bulloch, E.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Baker, E.N. | Deposit date: | 2019-02-15 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis. J.Biol.Chem., 295, 2020
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5A0D
| N-terminal thioester domain of surface protein from Clostridium perfringens, Cys138Ala mutant | Descriptor: | 1,2-ETHANEDIOL, SURFACE ANCHORED PROTEIN | Authors: | Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J. | Deposit date: | 2015-04-17 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An internal thioester in a pathogen surface protein mediates covalent host binding. Elife, 4, 2015
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6NTP
| PTP1B Domain of PTP1B-LOV2 Chimera | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1 | Authors: | Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M. | Deposit date: | 2019-01-30 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Minimally disruptive optical control of protein tyrosine phosphatase 1B. Nat Commun, 11, 2020
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5FGU
| Structure of Sda1 nuclease apoprotein as an EGFP fixed-arm fusion | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Green fluorescent protein,Extracellular streptodornase D, ... | Authors: | Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C. | Deposit date: | 2015-12-21 | Release date: | 2016-03-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes. Nucleic Acids Res., 44, 2016
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