4P3K
 
 | | Structure of ancestral PyrR protein (PLUMPyrR) | | Descriptor: | Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ... | | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | | Deposit date: | 2014-03-08 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
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6TFP
 | | BTK in complex with LOU064, a potent and highly selective covalent inhibitor | | Descriptor: | SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide | | Authors: | Scheufler, C, Hinniger, A, Gutmann, S. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 63, 2020
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2KQB
 | | First PBZ domain of human APLF protein | | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | | Deposit date: | 2009-11-04 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
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2KQD
 | | First PBZ domain of human APLF protein in complex with ribofuranosyladenosine | | Descriptor: | ADENOSINE, Aprataxin and PNK-like factor, ZINC ION, ... | | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | | Deposit date: | 2009-11-04 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
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4P83
 | | Structure of engineered PyrR protein (PURPLE PyrR) | | Descriptor: | Engineered PyrR protein (Purple), URIDINE-5'-MONOPHOSPHATE | | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | | Deposit date: | 2014-03-30 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
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2KQE
 | | Second PBZ domain of human APLF protein in complex with ribofuranosyladenosine | | Descriptor: | ADENOSINE, Aprataxin and PNK-like factor, ZINC ION, ... | | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | | Deposit date: | 2009-11-04 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
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6RAG
 | | Heterodimeric ABC exporter TmrAB in inward-facing wide conformation under turnover conditions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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6RAN
 | | Heterodimeric ABC exporter TmrAB in inward-facing wide conformation | | Descriptor: | Multidrug resistance ABC transporter ATP-binding and permease protein, Nanobody Nb9F10 | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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4WU3
 | | Structure of the PTP-like myo-inositol phosphatase from Mitsuokella multacida in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate | | Descriptor: | GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, MYO-INOSITOL PHOSPHOHYDROLASE, ... | | Authors: | Bruder, L.M, Mosimann, S.C. | | Deposit date: | 2014-10-30 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
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6RAJ
 | | Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing open conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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3I5R
 | | PI3K SH3 domain in complex with a peptide ligand | | Descriptor: | Peptide ligand, Phosphatidylinositol 3-kinase regulatory subunit alpha | | Authors: | Batra-Safferling, R, Granzin, J, Modder, S, Hoffmann, S, Willbold, D. | | Deposit date: | 2009-07-06 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural studies of the phosphatidylinositol 3-kinase (PI3K) SH3 domain in complex with a peptide ligand: role of the anchor residue in ligand binding.
Biol.Chem., 391, 2010
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3I5S
 | | Crystal structure of PI3K SH3 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION | | Authors: | Batra-Safferling, R, Granzin, J, Modder, S, Hoffmann, S, Willbold, D. | | Deposit date: | 2009-07-06 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural studies of the phosphatidylinositol 3-kinase (PI3K) SH3 domain in complex with a peptide ligand: role of the anchor residue in ligand binding.
Biol.Chem., 391, 2010
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4WWF
 | | High-resolution structure of two Ni-bound forms of the M123C mutant of C. metallidurans CnrXs | | Descriptor: | NICKEL (II) ION, Nickel and cobalt resistance protein CnrR, SODIUM ION | | Authors: | Volbeda, A, Coves, J, Maillard, A.P, Kinnemann, S, Grosse, C, Schleuder, G, Petit-Hurtlein, I, de Rosny, E, Nies, D.H. | | Deposit date: | 2014-11-10 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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3IYF
 | | Atomic Model of the Lidless Mm-cpn in the Open State | | Descriptor: | Chaperonin | | Authors: | Zhang, J, Baker, M.L, Schroeder, G, Douglas, N.R, Reissmann, S, Jakana, J, Dougherty, M, Fu, C.J, Levitt, M, Ludtke, S.J, Frydman, J, Chiu, W. | | Deposit date: | 2009-10-23 | | Release date: | 2010-02-02 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Mechanism of folding chamber closure in a group II chaperonin
Nature, 463, 2010
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4R8I
 | | High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2 | | Descriptor: | C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ... | | Authors: | Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C. | | Deposit date: | 2014-09-02 | | Release date: | 2015-04-29 | | Last modified: | 2015-05-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
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6T2B
 | | Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+. | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H. | | Deposit date: | 2019-10-08 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
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6RAH
 | | Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing open conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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6RAM
 | | Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation with wider opened intracellular gate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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6RAK
 | | Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing occluded conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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6RAI
 | | Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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6RAL
 | | Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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6RAF
 | | Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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5DGS
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2YLN
 | | Crystal structure of the L-cystine solute receptor of Neisseria gonorrhoeae in the closed conformation | | Descriptor: | CYSTEINE, GLYCEROL, PUTATIVE ABC TRANSPORTER, ... | | Authors: | Bulut, H, Moniot, S, Scheffel, F, Gathmann, S, Licht, A, Saenger, W, Schneider, E. | | Deposit date: | 2011-06-03 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae.
J.Mol.Biol., 415, 2012
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4WWD
 | | High-resolution structure of the Co-bound form of the Y135F mutant of C. metallidurans CnrXs | | Descriptor: | CARBON DIOXIDE, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H. | | Deposit date: | 2014-11-10 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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