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PDB: 420 results

5WBB
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BU of 5wbb by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - S112A
Descriptor: COPPER (II) ION, GLYCEROL, SULFATE ION, ...
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-06-28
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
5VL5
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BU of 5vl5 by Molmil
Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere
Descriptor: COPPER (II) ION, Streptavidin, [N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-04-24
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
5WBA
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BU of 5wba by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT
Descriptor: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-06-28
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
5WBC
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BU of 5wbc by Molmil
Designed Artificial Cupredoxins - WT
Descriptor: ACETATE ION, GLYCEROL, Streptavidin, ...
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2017-06-28
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Modular Artificial Cupredoxins.
J. Am. Chem. Soc., 138, 2016
5WBD
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BU of 5wbd by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - N49A
Descriptor: ACETATE ION, Streptavidin, [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-06-28
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
5K67
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BU of 5k67 by Molmil
Designed Artificial Cupredoxins
Descriptor: GLYCEROL, Streptavidin, [CuII(biot-pr-dpea)]2+
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2016-05-24
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
5K68
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BU of 5k68 by Molmil
Designed Artificial Cupredoxins
Descriptor: Streptavidin, [CuII(biot-bu-dpea)]2+
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2016-05-24
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
5L3Y
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BU of 5l3y by Molmil
Designed Artificial Cupredoxins
Descriptor: Streptavidin, [CuII(biot-et-dpea)]2+
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2016-05-24
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
4NHO
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BU of 4nho by Molmil
Structure of the spliceosomal DEAD-box protein Prp28
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, MERCURY (II) ION, ...
Authors:Moehlmann, S, Neumann, P, Ficner, R.
Deposit date:2013-11-05
Release date:2014-06-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the human spliceosomal DEAD-box helicase Prp28.
Acta Crystallogr.,Sect.D, 70, 2014
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
6ANX
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BU of 6anx by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT (low exposure)
Descriptor: ACETATE ION, SULFATE ION, Streptavidin, ...
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-08-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
5VL8
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BU of 5vl8 by Molmil
Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere
Descriptor: COPPER (II) ION, GLYCEROL, Streptavidin, ...
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-04-25
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
5VKX
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BU of 5vkx by Molmil
Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere
Descriptor: COPPER (II) ION, GLYCEROL, Streptavidin, ...
Authors:Mann, S.I, Heinisch, T.
Deposit date:2017-04-24
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
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
7JRQ
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BU of 7jrq by Molmil
Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein
Descriptor: CHLORIDE ION, GLYCEROL, MPP1, ...
Authors:Mann, S.I, DeGrado, W.F.
Deposit date:2020-08-12
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:De Novo Design, Solution Characterization, and Crystallographic Structure of an Abiological Mn-Porphyrin-Binding Protein Capable of Stabilizing a Mn(V) Species.
J.Am.Chem.Soc., 143, 2021
4Y85
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BU of 4y85 by Molmil
Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
Descriptor: 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8
Authors:Gutmann, S, Hinniger, A.
Deposit date:2015-02-16
Release date:2015-05-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
4Y83
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BU of 4y83 by Molmil
Crystal structure of COT kinase domain in complex with 5-(2-amino-5-(quinolin-3-yl)pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione
Descriptor: 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione, Mitogen-activated protein kinase kinase kinase 8
Authors:Gutmann, S, Hinniger, A.
Deposit date:2015-02-16
Release date:2015-05-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
3L9B
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BU of 3l9b by Molmil
Crystal Structure of Rat Otoferlin C2A
Descriptor: MAGNESIUM ION, Otoferlin
Authors:Helfmann, S, Neumann, P.
Deposit date:2010-01-04
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of the C2A domain of otoferlin reveals an unconventional top loop region.
J.Mol.Biol., 406, 2011
1Z3C
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BU of 1z3c by Molmil
Encephalitozooan cuniculi mRNA Cap (Guanine-N7) Methyltransferasein complexed with AzoAdoMet
Descriptor: S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, mRNA CAPPING ENZYME
Authors:Hausmann, S, Zhang, S, Fabrega, C, Schneller, S.W, Lima, C.D, Shuman, S.
Deposit date:2005-03-11
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Encephalitozoon cuniculi mRNA cap (guanine N-7) methyltransferase: methyl acceptor specificity, inhibition BY S-adenosylmethionine analogs, and structure-guided mutational analysis.
J.Biol.Chem., 280, 2005
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
1JMU
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BU of 1jmu by Molmil
Crystal Structure of the Reovirus mu1/sigma3 Complex
Descriptor: CHLORIDE ION, PROTEIN MU-1, SIGMA 3 PROTEIN, ...
Authors:Liemann, S, Nibert, M.L, Harrison, S.C.
Deposit date:2001-07-20
Release date:2002-02-06
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the reovirus membrane-penetration protein, Mu1, in a complex with is protector protein, Sigma3.
Cell(Cambridge,Mass.), 108, 2002
3NCR
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BU of 3ncr by Molmil
GlnK2 from Archaeoglubus fulgidus, ADP complex
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
Deposit date:2010-06-05
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
3NCQ
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BU of 3ncq by Molmil
GlnK2 from Archaeoglobus fulgidus, ATP complex
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
Deposit date:2010-06-05
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
3NCP
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BU of 3ncp by Molmil
GlnK2 from Archaeoglobus fulgidus
Descriptor: CHLORIDE ION, Nitrogen regulatory protein P-II (GlnB-2)
Authors:Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
Deposit date:2010-06-05
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
3MK7
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BU of 3mk7 by Molmil
The structure of CBB3 cytochrome oxidase
Descriptor: 30-mer peptide, CALCIUM ION, COPPER (II) ION, ...
Authors:Buschmann, S, Warkentin, E, Michel, H, Ermler, U.
Deposit date:2010-04-14
Release date:2010-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Structure of cbb3 Cytochrome Oxidase Provides Insights into Proton Pumping
Science, 329, 2010

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