2ES3
 
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3NIO
 | | Crystal structure of Pseudomonas aeruginosa guanidinobutyrase | | Descriptor: | Guanidinobutyrase, MANGANESE (II) ION | | Authors: | Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Jang, J.Y, Im, H, An, D, Suh, S.W. | | Deposit date: | 2010-06-16 | | Release date: | 2011-06-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of Pseudomonas aeruginosa guanidinobutyrase and guanidinopropionase, members of the ureohydrolase superfamily
J.Struct.Biol., 175, 2011
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3SUN
 | | RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite 2AP (AT rich sequence) | | Descriptor: | 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', CALCIUM ION, ... | | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | | Deposit date: | 2011-07-11 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
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2XCS
 | | The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA | | Descriptor: | 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, DNA GYRASE SUBUNIT B, ... | | Authors: | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | | Deposit date: | 2010-04-25 | | Release date: | 2010-08-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
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3N2Y
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2XCT
 | | The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA | | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ... | | Authors: | Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | | Deposit date: | 2010-04-25 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
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3SUO
 | | RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite 2AP (GC rich sequence) | | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', CALCIUM ION, ... | | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | | Deposit date: | 2011-07-11 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
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5V5L
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4RNZ
 | | Structure of Helicobacter pylori Csd3 from the hexagonal crystal | | Descriptor: | Conserved hypothetical secreted protein, GLYCEROL, NICKEL (II) ION, ... | | Authors: | An, D.R, Kim, H.S, Kim, J, Im, H.N, Yoon, H.J, Yoon, J.Y, Jang, J.Y, Hesek, D, Lee, M, Mobashery, S, Kim, S.-J, Lee, B.I, Suh, S.W. | | Deposit date: | 2014-10-27 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of Csd3 from Helicobacter pylori, a cell shape-determining metallopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
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4MX7
 | | Structure of mouse CD1d in complex with dioleoyl-phosphatidic acid | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M, Wang, J. | | Deposit date: | 2013-09-25 | | Release date: | 2014-10-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | TBN
To be Published
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7WWW
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1L0C
 | | Investigation of the Roles of Catalytic Residues in Serotonin N-Acetyltransferase | | Descriptor: | COA-S-ACETYL TRYPTAMINE, Serotonin N-acetyltransferase | | Authors: | Scheibner, K.A, De Angelis, J, Burley, S.K, Cole, P.A. | | Deposit date: | 2002-02-08 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Investigation of the roles of catalytic residues in serotonin N-acetyltransferase.
J.Biol.Chem., 277, 2002
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7LX0
 | | Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Gisriel, C.J, Wang, J. | | Deposit date: | 2021-03-02 | | Release date: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
BBA Adv, 1, 2021
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2P1B
 | | Crystal structure of human nucleophosmin-core | | Descriptor: | Nucleophosmin | | Authors: | Lee, H.H, Kim, H.S, Kang, J.Y, Lee, B.I, Ha, J.Y, Yoon, H.J, Lim, S.O, Jung, G, Suh, S.W. | | Deposit date: | 2007-03-03 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of human nucleophosmin-core reveals plasticity of the pentamer-pentamer interface
Proteins, 69, 2007
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5UIS
 | | Crystal structure of IRAK4 in complex with compound 12 | | Descriptor: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIQ
 | | Crystal structure of IRAK4 in complex with compound 9 | | Descriptor: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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2XCR
 | | The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA | | Descriptor: | 5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, ... | | Authors: | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | | Deposit date: | 2010-04-25 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
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4AF3
 | | Human Aurora B Kinase in complex with INCENP and VX-680 | | Descriptor: | AURORA KINASE B, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, INNER CENTROMERE PROTEIN | | Authors: | Elkins, J.M, Vollmar, M, Wang, J, Picaud, S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S. | | Deposit date: | 2012-01-16 | | Release date: | 2012-04-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680.
J.Med.Chem., 55, 2012
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2XKJ
 | | CRYSTAL STRUCTURE OF CATALYTIC CORE OF A. BAUMANNII TOPO IV (PARE- PARC FUSION TRUNCATE) | | Descriptor: | GLYCEROL, SULFATE ION, TOPOISOMERASE IV | | Authors: | Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D. | | Deposit date: | 2010-07-08 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance
Nat.Struct.Mol.Biol., 17, 2010
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4J2B
 | | RB69 DNA Polymerase L415G Ternary Complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*T)-3'), ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2013-02-04 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Alteration in the cavity size adjacent to the active site of RB69 DNA polymerase changes its conformational dynamics.
Nucleic Acids Res., 41, 2013
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4ELM
 | | Crystal structure of the mouse CD1d-lysosulfatide-Hy19.3 TCR complex | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Girardi, E, Maricic, I, Wang, J, Mac, T.T, Iyer, P, Kumar, V, Zajonc, D.M. | | Deposit date: | 2012-04-11 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.48 Å) | | Cite: | Type II natural killer T cells use features of both innate-like and conventional T cells to recognize sulfatide self antigens.
Nat.Immunol., 13, 2012
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2H2K
 | | Crystal Structure Analysis of Human S100A13 | | Descriptor: | CALCIUM ION, Protein S100-A13 | | Authors: | Li, M, Zhang, P.F, Zhang, J.P, Chang, W.R. | | Deposit date: | 2006-05-19 | | Release date: | 2007-05-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure study on human S100A13 at 2.0 A resolution
Biochem.Biophys.Res.Commun., 356, 2007
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2XKK
 | | CRYSTAL STRUCTURE OF MOXIFLOXACIN, DNA, and A. BAUMANNII TOPO IV (PARE-PARC FUSION TRUNCATE) | | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA, MAGNESIUM ION, ... | | Authors: | Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D. | | Deposit date: | 2010-07-08 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance
Nat.Struct.Mol.Biol., 17, 2010
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3LM0
 | | Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase 17B, ... | | Authors: | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-29 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: |
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3DJD
 | | Crystal structure of the deglycating enzyme fructosamine oxidase from Aspergillus fumigatus (Amadoriase II) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase | | Authors: | Collard, F, Zhang, J, Nemet, I, Qanungo, K.R, Monnier, V.M, Yee, V.C. | | Deposit date: | 2008-06-23 | | Release date: | 2008-07-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the deglycating enzyme fructosamine oxidase (FAOX-II)
To be Published
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