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7Z0K
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BU of 7z0k by Molmil
human PEX13 SH3 in complex with PEX5 W4 (WxxxF/Y) motif
Descriptor: Peroxisomal membrane protein PEX13,Peroxisomal targeting signal 1 receptor
Authors:Gaussmann, S, Napolitano, V, 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
5DJQ
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BU of 5djq by Molmil
The structure of CBB3 cytochrome oxidase.
Descriptor: CALCIUM ION, COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoN1, ...
Authors:Buschmann, S, Warkentin, E, Xie, H, Kohlstaedt, M, Langer, J.D, Ermler, U, Michel, H.
Deposit date:2015-09-02
Release date:2016-01-13
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of cbb3 cytochrome oxidase provides insights into proton pumping.
Science, 329, 2010
6TVQ
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BU of 6tvq by Molmil
Structure of native gp41 derived peptide fusion inhibitor
Descriptor: Env polyprotein (Fragment), Envelope glycoprotein gp160
Authors:Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C.
Deposit date:2020-01-10
Release date:2021-01-27
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
6TVU
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BU of 6tvu by Molmil
Structure of native gp41 derived peptide fusion inhibitor
Descriptor: Env polyprotein (Fragment), Transmembrane protein gp41
Authors:Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B.
Deposit date:2020-01-10
Release date:2021-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
6TVW
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BU of 6tvw by Molmil
Structure of native gp41 derived peptide fusion inhibitor
Descriptor: Envelope glycoprotein, Transmembrane protein gp41,Envelope glycoprotein gp160
Authors:Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B.
Deposit date:2020-01-10
Release date:2021-01-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
6FHS
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BU of 6fhs by Molmil
CryoEM Structure of INO80core
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Arp5, ...
Authors:Eustermann, S, Schall, K, Kostrewa, D, Strauss, M, Hopfner, K.
Deposit date:2018-01-15
Release date:2018-04-25
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.754 Å)
Cite:Structural basis for ATP-dependent chromatin remodelling by the INO80 complex.
Nature, 556, 2018
6FML
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BU of 6fml by Molmil
CryoEM Structure INO80core Nucleosome complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin related protein 5, ...
Authors:Eustermann, S, Schall, K, Kostrewa, D, Strauss, M, Hopfner, K.
Deposit date:2018-01-31
Release date:2018-04-25
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Structural basis for ATP-dependent chromatin remodelling by the INO80 complex.
Nature, 556, 2018
4ZJJ
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BU of 4zjj by Molmil
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Descriptor: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
Authors:Gutmann, S, Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
4ZJI
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BU of 4zji by Molmil
PAK1 in complex with 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
Descriptor: 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
Authors:Gutmann, S, Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
6RAG
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BU of 6rag by Molmil
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
6RAN
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BU of 6ran by Molmil
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
6RAJ
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BU of 6raj by Molmil
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
6RAH
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BU of 6rah by Molmil
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
6RAM
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BU of 6ram by Molmil
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
6RAK
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BU of 6rak by Molmil
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
6RAI
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BU of 6rai by Molmil
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
6RAL
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BU of 6ral by Molmil
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
6RAF
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BU of 6raf by Molmil
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
2KQC
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BU of 2kqc by Molmil
Second 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:2024-05-22
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
2KQB
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BU of 2kqb by Molmil
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
2KQD
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BU of 2kqd by Molmil
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
2KQE
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BU of 2kqe by Molmil
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
6S90
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BU of 6s90 by Molmil
BTK in complex with an inhibitor
Descriptor: 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK
Authors:Gutmann, S, Hinniger, A.
Deposit date:2019-07-11
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Acs Med.Chem.Lett., 10, 2019
2N8A
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BU of 2n8a by Molmil
1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break
Descriptor: DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Yang, J, Wu, W.
Deposit date:2015-10-08
Release date:2015-12-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1.
Mol.Cell, 60, 2015
2L31
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BU of 2l31 by Molmil
Human PARP-1 zinc finger 2
Descriptor: Poly [ADP-ribose] polymerase 1, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Yang, J, Videler, H.
Deposit date:2010-08-30
Release date:2011-02-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011

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