4XJ0
 
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2015-01-08 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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6PB5
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4XK4
 | | E. coli transcriptional regulator RUTR with dihydrouracil | | Descriptor: | DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, HTH-type transcriptional regulator RutR | | Authors: | Shumilin, I.A, Cooper, D.R, Shabalin, I.G, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-01-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | E. COLI TRANSCRIPTIONAL REGULATOR RUTR WITH DIHYDROURACIL
to be published
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8IDS
 | | Crystal structure of Bacillus sp. AHU2216 GH13_31 Alpha-glucosidase E256Q/N258P in complex with maltotriose | | Descriptor: | Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Auiewiriyanukul, W, Saburi, W, Yu, J, Kato, K, Yao, M, Mori, H. | | Deposit date: | 2023-02-14 | | Release date: | 2023-05-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Alteration of Substrate Specificity and Transglucosylation Activity of GH13_31 alpha-Glucosidase from Bacillus sp. AHU2216 through Site-Directed Mutagenesis of Asn258 on beta → alpha Loop 5.
Molecules, 28, 2023
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4CEY
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD | | Descriptor: | 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, SODIUM ION, VP1, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-12 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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4Y14
 | | Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide, CHLORIDE ION, ... | | Authors: | Choy, M.S, Connors, C, Page, R, Peti, W. | | Deposit date: | 2015-02-06 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | PTP1B inhibition suggests a therapeutic strategy for Rett syndrome.
J.Clin.Invest., 125, 2015
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2YBA
 | | Crystal structure of Nurf55 in complex with histone H3 | | Descriptor: | HISTONE H3, PROBABLE HISTONE-BINDING PROTEIN CAF1 | | Authors: | Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H. | | Deposit date: | 2011-03-02 | | Release date: | 2011-05-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks
Mol.Cell, 42, 2011
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4XLZ
 | | N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the presence of cadmium | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K. | | Deposit date: | 2015-01-14 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus.
Acta Crystallogr.,Sect.F, 71, 2015
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4XA8
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2 | | Descriptor: | D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding | | Authors: | Handing, K.B, Gasiorowska, O.A, Shabalin, I.G, Cymborowski, M.T, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-12-12 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2.
to be published
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4XAO
 | | Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Delfosse, V, Huet, T, Bourguet, W. | | Deposit date: | 2014-12-15 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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6P48
 | | Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl1 | | Descriptor: | Anoctamin-6, CALCIUM ION | | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | | Deposit date: | 2019-05-26 | | Release date: | 2019-07-24 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling.
Cell Rep, 28, 2019
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6FHP
 | | DAIP in complex with a C-terminal fragment of thermolysin | | Descriptor: | Dispase autolysis-inducing protein, Thermolysin | | Authors: | Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A. | | Deposit date: | 2018-01-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
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2Y75
 | | The Structure of CymR (YrzC) the Global Cysteine Regulator of B. subtilis | | Descriptor: | CHLORIDE ION, HTH-TYPE TRANSCRIPTIONAL REGULATOR CYMR, SULFATE ION | | Authors: | Shepard, W, Soutourina, O, Courtois, E, England, P, Haouz, A, Martin-Verstraete, I. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights Into the Rrf2 Repressor Family - the Structure of Cymr, the Global Cysteine Regulator of Bacillus Subtilis.
FEBS J., 278, 2011
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2YB8
 | | Crystal structure of Nurf55 in complex with Su(z)12 | | Descriptor: | POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION | | Authors: | Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H. | | Deposit date: | 2011-03-02 | | Release date: | 2011-05-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks.
Mol.Cell, 42, 2011
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6OZG
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6OZN
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8IBK
 | | Crystal structure of Bacillus sp. AHU2216 GH13_31 Alpha-glucosidase E256Q/N258G in complex with maltotriose | | Descriptor: | Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Auiewiriyanukul, W, Saburi, W, Yu, J, Kato, K, Yao, M, Mori, H. | | Deposit date: | 2023-02-10 | | Release date: | 2023-05-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Alteration of Substrate Specificity and Transglucosylation Activity of GH13_31 alpha-Glucosidase from Bacillus sp. AHU2216 through Site-Directed Mutagenesis of Asn258 on beta → alpha Loop 5.
Molecules, 28, 2023
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6EZR
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3B5U
 | | Actin filament model from extended form of acromsomal bundle in the Limulus sperm | | Descriptor: | Actin, alpha skeletal muscle | | Authors: | Cong, Y, Topf, M, Sali, A, Matsudaira, P, Dougherty, M, Chiu, W, Schmid, M.F. | | Deposit date: | 2007-10-26 | | Release date: | 2008-04-15 | | Last modified: | 2024-02-21 | | Method: | ELECTRON CRYSTALLOGRAPHY (9.5 Å) | | Cite: | Crystallographic conformers of actin in a biologically active bundle of filaments
J.Mol.Biol., 375, 2008
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4X9K
 | | Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, GLYCEROL, MALONATE ION, ... | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Grabowski, M, Chordia, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-12-11 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
to be published
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4XSP
 | | Crystal structure of Anabaena Alr3699/HepE in complex with UDP | | Descriptor: | Alr3699 protein, GLYCEROL, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, X.P, Dai, Y.N, Jiang, Y.L, Cheng, W, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2015-01-22 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and enzymatic analyses of a glucosyltransferase Alr3699/HepE involved in Anabaena heterocyst envelop polysaccharide biosynthesis
Glycobiology, 26, 2016
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6PE5
 | | Yeast Vo motor in complex with 2 VopQ molecules | | Descriptor: | Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ... | | Authors: | Peng, W, Li, Y, Tomchick, D.R, Orth, K. | | Deposit date: | 2019-06-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
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6EZS
 | | Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi in complex with N-acetylglucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylglucosaminidase Nag2, MALONATE ION | | Authors: | Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W. | | Deposit date: | 2017-11-16 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
To Be Published
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4XVK
 | | Binary complex of human polymerase nu and DNA with the finger domain closed | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*GP*AP*TP*CP*TP*GP*AP*CP*GP*CP*TP*AP*CP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*GP*TP*AP*GP*CP*GP*TP*CP*A)-3'), ... | | Authors: | Lee, Y.-S, Yang, W. | | Deposit date: | 2015-01-27 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | How a homolog of high-fidelity replicases conducts mutagenic DNA synthesis.
Nat.Struct.Mol.Biol., 22, 2015
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3B6Y
 | | Crystal Structure of the Second HIN-200 Domain of Interferon-Inducible Protein 16 | | Descriptor: | Gamma-interferon-inducible protein Ifi-16, SULFATE ION | | Authors: | Liao, J.C.C, Lam, R, Ravichandran, M, Duan, S, Tempel, W, Chirgadze, N.Y, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-10-29 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structure Analysis of the Second HIN Domain of IFI16.
To be Published
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