3RTP
 
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | Deposit date: | 2011-05-03 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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6NV2
 | | 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005 | | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2019-02-04 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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3R8J
 | | Crystal structure of human SOUL protein (orthorhombic form) | | Descriptor: | Heme-binding protein 2, PHOSPHATE ION | | Authors: | Ambrosi, E.K, Capaldi, S, Bovi, M, Saccomani, G, Perduca, M, Monaco, H.L. | | Deposit date: | 2011-03-24 | | Release date: | 2011-06-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural changes in the BH3 domain of SOUL protein upon interaction with the anti-apoptotic protein Bcl-xL.
Biochem.J., 438, 2011
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4OT7
 | | X-structure of a variant of NCR from zymomonas mobilis | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase | | Authors: | Genz, M, Strater, N. | | Deposit date: | 2014-02-13 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Surface Loops Representing Enzyme Modifying Element in the Field of Tuning Enzyme Properties
TO BE PUBLISHED
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1R2K
 | | Crystal structure of MoaB from Escherichia coli | | Descriptor: | Molybdenum cofactor biosynthesis protein B, SULFATE ION | | Authors: | Bader, G, Gomez-Ortiz, M, Haussmann, C, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2003-09-28 | | Release date: | 2004-06-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the molybdenum-cofactor biosynthesis protein MoaB of Escherichia coli.
Acta Crystallogr.,Sect.D, 60, 2004
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6JZJ
 | | Structure of FimA type-2 (FimA2) prepilin of the type V major fimbrium | | Descriptor: | Major fimbrium subunit FimA type-2, SULFATE ION | | Authors: | Okada, K, Shoji, M, Nakayam, K, Imada, K. | | Deposit date: | 2019-05-02 | | Release date: | 2020-04-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of polymerized type V pilin reveals assembly mechanism involving protease-mediated strand exchange.
Nat Microbiol, 5, 2020
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6NJ8
 | | Encapsulin iron storage compartment from Quasibacillus thermotolerans | | Descriptor: | Encapsulating protein for a DyP-type peroxidase, targeting peptide | | Authors: | Orlando, B.J, Giessen, T.W, Chambers, M.G, Liao, M, Silver, P.A. | | Deposit date: | 2019-01-02 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Large protein organelles form a new iron sequestration system with high storage capacity.
Elife, 8, 2019
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6JZZ
 | | The crystal structure of AAR-C294S in complex with ADO. | | Descriptor: | Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL, ... | | Authors: | Zhang, H.M, Li, M, Gao, Y. | | Deposit date: | 2019-05-04 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.011 Å) | | Cite: | Structural insights into catalytic mechanism and product delivery of cyanobacterial acyl-acyl carrier protein reductase.
Nat Commun, 11, 2020
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5CTY
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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3RK4
 | | Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 | | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Lahoda, M, Stsiapanava, A, Mesters, J, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. | | Deposit date: | 2011-04-17 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
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1KBG
 | | MHC Class I H-2KB Presented Glycopeptide RGY8-6H-GAL2 | | 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, PROTEIN (BETA-2-MICROGLOBULIN), ... | | Authors: | Speir, J.A, Abdel-Motal, U.M, Jondal, M, Wilson, I.A. | | Deposit date: | 1998-08-28 | | Release date: | 1999-02-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of an MHC class I presented glycopeptide that generates carbohydrate-specific CTL.
Immunity, 10, 1999
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6NBK
 | | Crystal structure of Arginase from Bacillus cereus | | Descriptor: | Arginase, CALCIUM ION, MANGANESE (II) ION | | Authors: | Chang, C, Evdokimova, E, Mcchesney, M, Joachimiak, A, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-07 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of Arginase from Bacillus cereus
To Be Published
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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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6NCQ
 | | The dimerization domain of human SFPQ in space group C2221 | | Descriptor: | Splicing factor, proline- and glutamine-rich | | Authors: | Lee, M. | | Deposit date: | 2018-12-12 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A new crystal structure and small-angle X-ray scattering analysis of the homodimer of human SFPQ.
Acta Crystallogr.,Sect.F, 75, 2019
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6K0T
 | | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17 | | Descriptor: | 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | | Authors: | Suzuki, M, Yamamoto, K, Takahashi, Y, Saito, J. | | Deposit date: | 2019-05-07 | | Release date: | 2019-10-30 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold.
Bioorg.Med.Chem., 27, 2019
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2ZDX
 | | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | | Descriptor: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Pyruvate dehydrogenase kinase isozyme 4 | | Authors: | Kawamoto, M, Shiromizu, I, Kukimoto-niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S. | | Deposit date: | 2007-11-30 | | Release date: | 2008-12-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4.
Acta Crystallogr.,Sect.D, 67, 2011
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4KE7
 | | Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-myristoyl glycerol analogue | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase, dodecyl hydrogen (S)-(3-azidopropyl)phosphonate | | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | Deposit date: | 2013-04-25 | | Release date: | 2013-09-18 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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6NER
 | | Synthetic Haliangium ochraceum BMC shell | | Descriptor: | BMC-H tandem fusion protein, SULFATE ION | | Authors: | Sutter, M, McGuire, S, Aussignargues, C, Kerfeld, C.A. | | Deposit date: | 2018-12-18 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Structural Characterization of a Synthetic Tandem-Domain Bacterial Microcompartment Shell Protein Capable of Forming Icosahedral Shell Assemblies.
ACS Synth Biol, 8, 2019
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6GCA
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1T6C
 | | Structural characterization of the Ppx/GppA protein family: crystal structure of the Aquifex aeolicus family member | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kristensen, O, Laurberg, M, Liljas, A, Kastrup, J.S, Gajhede, M. | | Deposit date: | 2004-05-06 | | Release date: | 2004-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural characterization of the stringent response related exopolyphosphatase/guanosine pentaphosphate phosphohydrolase protein family
Biochemistry, 43, 2004
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1T3K
 | | NMR structure of a CDC25-like dual-specificity tyrosine phosphatase of Arabidopsis thaliana | | Descriptor: | Dual-specificity tyrosine phosphatase, ZINC ION | | Authors: | Landrieu, I, da Costa, M, De Veylder, L, Dewitte, F, Vandepoele, K, Hassan, S, Wieruszeski, J.M, Faure, J.D, Inze, D, Lippens, G. | | Deposit date: | 2004-04-27 | | Release date: | 2004-09-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A small CDC25 dual-specificity tyrosine-phosphatase isoform in Arabidopsis thaliana.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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8D5I
 | | Crystal structure of dihydropteroate synthase H182G mutant (folP-SMZ_B27) from soil uncultured bacterium in complex with pteroic acid and pyrophosphate | | Descriptor: | PTEROIC ACID, PYROPHOSPHATE 2-, folP-SMZ_B27 | | Authors: | Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Venkatesan, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-06-04 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of dihydropteroate synthase H182G mutant (folP-SMZ_B27) from soil uncultured bacterium in complex with pteroic acid
To Be Published
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2ZAN
 | | Crystal structure of mouse SKD1/VPS4B ATP-form | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Vacuolar protein sorting-associating protein 4B | | Authors: | Inoue, M, Kawasaki, M, Kamikubo, H, Kataoka, M, Kato, R, Yoshimori, T, Wakatsuki, S. | | Deposit date: | 2007-10-08 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Nucleotide-dependent conformational changes and assembly of the AAA ATPase SKD1/VPS4B
Traffic, 9, 2008
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6JZI
 | | Structure of hen egg-white lysozyme obtained from SFX experiments under atmospheric pressure | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Nango, E, Sugahara, M, Nakane, T, Tanaka, T, Iwata, S. | | Deposit date: | 2019-05-02 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019
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2ZKY
 | | Crystal structure of human Cu-Zn superoxide dismutase mutant G93A | | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Ito, K, Shirouzu, M, Urushitani, M, Takahashi, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-03-31 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human Cu-Zn superoxide dismutase mutant G93A
To be Published
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