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PDB: 298 results

5IT6
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BU of 5it6 by Molmil
Galectin-related protein: an integral member of the network of chicken galectins
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galectin-related protein, ...
Authors:Flores-Ibarra, A, Garcia-Caballero, G, Michalak, M, Bovin, N.V, Andre, S, Manning, J.C, Vertesy, S, Ruiz, F.M, Kaltner, H, Kopitz, J, Romero, A, Gabius, H.-J.
Deposit date:2016-03-16
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:Galectin-related protein: An integral member of the network of chicken galectins 1. From strong sequence conservation of the gene confined to vertebrates to biochemical characteristics of the chicken protein and its crystal structure.
Biochim.Biophys.Acta, 1860, 2016
7R8P
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BU of 7r8p by Molmil
Open form of SAOUHSC_02373 in complex with ADP, Mg2+ and Na+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CHLORIDE ION, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2021-06-27
Release date:2022-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism.
J.Biol.Chem., 298, 2022
7R8Q
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BU of 7r8q by Molmil
Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2021-06-27
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism.
J.Biol.Chem., 298, 2022
7RML
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BU of 7rml by Molmil
Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD
Descriptor: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Pederick, J.L, Wegener, K.L, Salaemae, W, Bruning, J.B.
Deposit date:2021-07-27
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biochemical and structural characterization of meningococcal methylenetetrahydrofolate reductase.
Protein Sci., 32, 2023
7SH5
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BU of 7sh5 by Molmil
Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ...
Authors:Doherty, D.Z, Bell, S.G, Bruning, J.
Deposit date:2021-10-08
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
5U6T
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BU of 5u6t by Molmil
The crystal structure of 4-ethoxybenzoate-bound CYP199A4
Descriptor: 4-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
7SMZ
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BU of 7smz by Molmil
X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ...
Authors:Ghith, A, Bruning, J.B, Bell, S.G.
Deposit date:2021-10-27
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
6OOX
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BU of 6oox by Molmil
The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4
Descriptor: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
7SQB
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BU of 7sqb by Molmil
PPAR gamma LBD bound to Inverse Agonist SR10221
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Pederick, J.L, Bruning, J.B.
Deposit date:2021-11-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
7SQA
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BU of 7sqa by Molmil
PPAR gamma LBD bound to SR10221 and SMRT corepressor motif
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Pederick, J.L, Bruning, J.B.
Deposit date:2021-11-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
5U6W
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BU of 5u6w by Molmil
The crystal structure of 4-methylaminobenzoate-bound CYP199A4
Descriptor: 4-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-09
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5U6U
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BU of 5u6u by Molmil
The crystal structure of 4-ethylthiobenzoate-bound CYP199A4
Descriptor: 4-(ethylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
6ARR
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BU of 6arr by Molmil
Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions
Descriptor: Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ...
Authors:Marshall, A.C, Bond, C.S, Bruning, J.B.
Deposit date:2017-08-23
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
6ARF
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BU of 6arf by Molmil
Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with potassium ions
Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ...
Authors:Marshall, A.C, Bond, C.S, Bruning, J.B.
Deposit date:2017-08-22
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
6ARG
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BU of 6arg by Molmil
Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium ions
Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ...
Authors:Marshall, A.C, Bond, C.S, Bruning, J.B.
Deposit date:2017-08-22
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
6ART
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BU of 6art by Molmil
Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions
Descriptor: Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ...
Authors:Marshall, A.C, Bond, C.S, Bruning, J.B.
Deposit date:2017-08-23
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
6ARE
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BU of 6are by Molmil
Aspergillus fumigatus Cytosolic Thiolase in complex with two tetrahedral reaction intermediates and ammonium ions
Descriptor: ACETATE ION, ACETYL COENZYME *A, AMMONIUM ION, ...
Authors:Marshall, A.C, Bond, C.S, Bruning, J.B.
Deposit date:2017-08-22
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
7RHW
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BU of 7rhw by Molmil
Aspergillus fumigatus Enolase Bound to 2-Phosphoglycerate
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase, MAGNESIUM ION
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2021-07-19
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural model of the human plasminogen and Aspergillus fumigatus enolase complex.
Proteins, 90, 2022
7RHV
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BU of 7rhv by Molmil
Aspergillus fumigatus Enolase
Descriptor: Enolase, MAGNESIUM ION
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2021-07-19
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural model of the human plasminogen and Aspergillus fumigatus enolase complex.
Proteins, 90, 2022
7RI0
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BU of 7ri0 by Molmil
Aspergillus fumigatus Enolase Bound to Phosphoenolpyruvate and 2-Phosphoglycerate
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase, MAGNESIUM ION, ...
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2021-07-19
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural model of the human plasminogen and Aspergillus fumigatus enolase complex.
Proteins, 90, 2022
4YPI
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BU of 4ypi by Molmil
Structure of Ebola virus nucleoprotein N-terminal fragment bound to a peptide derived from Ebola VP35
Descriptor: Nucleoprotein, Polymerase cofactor VP35
Authors:Leung, D.W, Borek, D.M, Binning, J.M, Otwinowski, Z, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-03-13
Release date:2015-04-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:An Intrinsically Disordered Peptide from Ebola Virus VP35 Controls Viral RNA Synthesis by Modulating Nucleoprotein-RNA Interactions.
Cell Rep, 11, 2015
7TEF
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BU of 7tef by Molmil
Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2022-01-04
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis.
J.Steroid Biochem.Mol.Biol., 221, 2022
4IBI
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BU of 4ibi by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.473 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBJ
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BU of 4ibj by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBF
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BU of 4ibf by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014

226707

數據於2024-10-30公開中

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