6IBX
 
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | | Descriptor: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | Deposit date: | 2018-12-01 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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3WO7
 | | Crystal structure of YidC from Bacillus halodurans (form II) | | Descriptor: | COPPER (II) ION, Membrane protein insertase YidC 2 | | Authors: | Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
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3WO6
 | | Crystal structure of YidC from Bacillus halodurans (form I) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CADMIUM ION, Membrane protein insertase YidC 2 | | Authors: | Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
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3O8O
 | | Structure of phosphofructokinase from Saccharomyces cerevisiae | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase subunit alpha, ... | | Authors: | Banaszak, K, Mechin, I, Kopperschlager, G, Rypniewski, W. | | Deposit date: | 2010-08-03 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
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3WVF
 | | Crystal structure of YidC from Escherichia coli | | Descriptor: | Membrane protein insertase YidC | | Authors: | Kumazaki, K, Tsukazaki, T, Kishimoto, T, Ishitani, R, Nureki, O. | | Deposit date: | 2014-05-20 | | Release date: | 2014-12-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of Escherichia coli YidC, a membrane protein chaperone and insertase
Sci Rep, 4, 2014
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3O8N
 | | Structure of phosphofructokinase from rabbit skeletal muscle | | Descriptor: | 6-phosphofructokinase, muscle type, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Banaszak, K, Chang, S.H, Rypniewski, W. | | Deposit date: | 2010-08-03 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
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3O8L
 | | Structure of phosphofructokinase from rabbit skeletal muscle | | Descriptor: | 6-phosphofructokinase, muscle type, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Banaszak, K, Chang, S.H, Rypniewski, W. | | Deposit date: | 2010-08-03 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
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1TJD
 | | The crystal structure of the reduced disulphide bond isomerase, DsbC, from Escherichia coli | | Descriptor: | Thiol:disulfide interchange protein dsbC | | Authors: | Banaszak, K, Mechin, I, Frost, G, Rypniewski, W. | | Deposit date: | 2004-06-04 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the reduced disulfide-bond isomerase DsbC from Escherichia coli.
Acta Crystallogr.,Sect.D, 60, 2004
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4JSB
 | | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase from Thermobifida fusca YX | | Descriptor: | Enoyl-CoA hydratase, SULFATE ION | | Authors: | Mikolajczak, K, Porebski, P.J, Cooper, D.R, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Zimmerman, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-22 | | Release date: | 2013-06-19 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase from Thermobifida fusca YX
TO BE PUBLISHED
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4JP8
 | | Crystal structure of Pro-F17H/S324A | | Descriptor: | CALCIUM ION, Tk-subtilisin | | Authors: | Yuzaki, K, You, D.J, Uehara, R, Koga, Y, Kanaya, S. | | Deposit date: | 2013-03-19 | | Release date: | 2014-01-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Increase in activation rate of Pro-Tk-subtilisin by a single nonpolar-to-polar amino acid substitution at the hydrophobic core of the propeptide domain
Protein Sci., 22, 2013
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3TJA
 | | Crystal structure of Helicobacter pylori UreE in the apo form | | Descriptor: | CHLORIDE ION, SULFATE ION, Urease accessory protein ureE | | Authors: | Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking.
Biochem.J., 441, 2012
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4JVT
 | | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase fromThermobifida fusca YX in complex with CoA | | Descriptor: | ACETATE ION, ACETYL COENZYME *A, Enoyl-CoA hydratase | | Authors: | Mikolajczak, K, Porebski, P.J, Cooper, D.R, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Zimmerman, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-26 | | Release date: | 2013-06-19 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase fromThermobifida fusca YX in complex with CoA
To be Published
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3TJ9
 | | Crystal structure of Helicobacter pylori UreE bound to Zn2+ | | Descriptor: | FORMIC ACID, Urease accessory protein ureE, ZINC ION | | Authors: | Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.521 Å) | | Cite: | Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking.
Biochem.J., 441, 2012
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3TJ8
 | | Crystal structure of Helicobacter pylori UreE bound to Ni2+ | | Descriptor: | FORMIC ACID, NICKEL (II) ION, Urease accessory protein ureE | | Authors: | Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking.
Biochem.J., 441, 2012
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7NDX
 | | Crystal structure of the human HSP40 DNAJB1-CTDs in complex with a peptide of NudC | | Descriptor: | 1,2-ETHANEDIOL, DnaJ homolog subfamily B member 1, Nuclear migration protein nudC | | Authors: | Delhommel, F, Zak, K.M, Popowicz, G.M, Sattler, M. | | Deposit date: | 2021-02-02 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.541 Å) | | Cite: | NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems.
Mol.Cell, 82, 2022
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5N2D
 | | Structure of PD-L1/small-molecule inhibitor complex | | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2017-02-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
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5N2F
 | | Structure of PD-L1/small-molecule inhibitor complex | | Descriptor: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2017-02-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
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4ZGK
 | | Structure of Mdm2 with low molecular weight inhibitor. | | Descriptor: | (5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Twarda-Clapa, A, Zak, K.M, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2015-04-23 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
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7Z0J
 | | human PEX13 SH3 domain in complex with internal FxxxF motif | | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13 | | Authors: | Gaussmann, S, Zak, K, Kreisz, N, Sattler, M. | | Deposit date: | 2022-02-23 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Intramolecular autoinhibition of human PEX13 modulates peroxisomal import
Biorxiv, 2022
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7Z0I
 | | human PEX13 SH3 domain | | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13, ZINC ION | | Authors: | Gaussmann, S, Zak, K, Sattler, M. | | Deposit date: | 2022-02-23 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Intramolecular autoinhibition of human PEX13 modulates peroxisomal import
Biorxiv, 2022
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6R73
 | | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, ZINC ION | | Authors: | Softley, C.A, Zak, K, Kolonko, M, Sattler, M, Popowicz, G. | | Deposit date: | 2019-03-28 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
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1CNP
 | | THE STRUCTURE OF CALCYCLIN REVEALS A NOVEL HOMODIMERIC FOLD FOR S100 CA2+-BINDING PROTEINS, NMR, 22 STRUCTURES | | Descriptor: | CALCYCLIN (RABBIT, APO) | | Authors: | Potts, B.C.M, Smith, J, Akke, M, Macke, T.J, Okazaki, K, Hidaka, H, Case, D.A, Chazin, W.J. | | Deposit date: | 1995-08-31 | | Release date: | 1996-10-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of calcyclin reveals a novel homodimeric fold for S100 Ca(2+)-binding proteins.
Nat.Struct.Biol., 2, 1995
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1UD6
 | | Crystal structure of AmyK38 with potassium ion | | Descriptor: | POTASSIUM ION, amylase | | Authors: | Nonaka, T, Fujihashi, M, Kita, A, Hagihara, H, Ozaki, K, Ito, S, Miki, K. | | Deposit date: | 2003-04-28 | | Release date: | 2003-07-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of calcium-free alpha-amylase from Bacillus sp. strain KSM-K38 (AmyK38) and its sodium ion binding sites
J.Biol.Chem., 278, 2003
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6IU6
 | | Crystal structure of cytoplasmic metal binding domain with nickel ions | | Descriptor: | NICKEL (II) ION, VIT1, ZINC ION | | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O. | | Deposit date: | 2018-11-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
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6IU3
 | | Crystal structure of iron transporter VIT1 with zinc ions | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, VIT1, ZINC ION | | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Taniguchi, R, Kumazaki, K, Ishitani, R, Nureki, O. | | Deposit date: | 2018-11-27 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
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