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4BPF
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BU of 4bpf by Molmil
High resolution crystal structure of Bacillus subtilis DltC S36A
Descriptor: D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2
Authors:Zimmermann, S, Neumann, P, Stubbs, M.T.
Deposit date:2013-05-26
Release date:2014-06-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms
FEBS Lett., 589, 2015
4BPH
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BU of 4bph by Molmil
High resolution crystal structure of Bacillus subtilis DltC
Descriptor: 4'-PHOSPHOPANTETHEINE, D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2, MAGNESIUM ION
Authors:Zimmermann, S, Neumann, P, Stubbs, M.T.
Deposit date:2013-05-26
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms
FEBS Lett., 589, 2015
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
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
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
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
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
5IS5
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BU of 5is5 by Molmil
Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors
Descriptor: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5IU2
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BU of 5iu2 by Molmil
Discovery of imidazoquinolines as a novel class of potent, selective and in vivo efficacious COT kinase inhibitors
Descriptor: Mitogen-activated protein kinase kinase kinase 8, N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
Authors:Gutmann, S, Hinniger, A.
Deposit date:2016-03-17
Release date:2016-08-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors.
J.Med.Chem., 59, 2016
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

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