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PDB: 130 results

5KAG
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BU of 5kag by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, OXYGEN MOLECULE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
5KAH
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Crystal structure of a dioxygenase in the Crotonase superfamily in P21, V425T mutant
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.779 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
4YLH
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BU of 4ylh by Molmil
Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway
Descriptor: DpgC, XENON, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Li, K, Di Russo, N.V, Condurso, H.L, Roitberg, A.E, Bruner, S.D.
Deposit date:2015-03-05
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Oxygen diffusion pathways in a cofactor-independent dioxygenase.
Chem Sci, 6, 2015
5IG9
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BU of 5ig9 by Molmil
Crystal structure of macrocyclase MdnC bound with precursor peptide MdnA from Microcystis aeruginosa MRC
Descriptor: ATP grasp ligase, Microviridin
Authors:Li, K, Condurso, H.L, Bruner, S.D.
Deposit date:2016-02-27
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.665 Å)
Cite:Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
5V6J
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BU of 5v6j by Molmil
Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TMV resistance protein Y3
Authors:Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y.
Deposit date:2017-03-16
Release date:2017-08-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V6I
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Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity - Pt derivative
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, PLATINUM (II) ION, ...
Authors:Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y.
Deposit date:2017-03-16
Release date:2017-08-16
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7W93
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BU of 7w93 by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK complexed with N1-methyl-pseudouridine
Descriptor: 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione, POTASSIUM ION, PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-12-09
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
2QIY
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BU of 2qiy by Molmil
yeast Deubiquitinase Ubp3 and Bre5 cofactor complex
Descriptor: UBP3-associated protein BRE5, Ubiquitin carboxyl-terminal hydrolase 3
Authors:Li, K, Liu, X, Marmorstein, R.
Deposit date:2007-07-05
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular basis for bre5 cofactor recognition by the ubp3 deubiquitylating enzyme.
J.Mol.Biol., 372, 2007
4YHB
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BU of 4yhb by Molmil
Crystal structure of a siderophore utilization protein from T. fusca
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Iron-chelator utilization protein, ...
Authors:Li, K, Bruner, S.D.
Deposit date:2015-02-27
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8892 Å)
Cite:Structure and Mechanism of the Siderophore-Interacting Protein from the Fuscachelin Gene Cluster of Thermobifida fusca.
Biochemistry, 54, 2015
7VKP
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BU of 7vkp by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK
Descriptor: PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-09-30
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
7VSK
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BU of 7vsk by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK complexed with pseudouridine.
Descriptor: 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione, PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-10-26
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
5IG8
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BU of 5ig8 by Molmil
Crystal structure of macrocyclase MdnB from Microcystis aeruginosa MRC
Descriptor: ATP grasp ligase
Authors:Li, K, Condurso, H.L, Bruner, S.D.
Deposit date:2016-02-27
Release date:2016-09-21
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
6PP9
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BU of 6pp9 by Molmil
Crystal structure of BRAF:MEK1 complex
Descriptor: 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-07-05
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
5KAJ
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BU of 5kaj by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, A319C mutant
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.681 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
1ZX2
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BU of 1zx2 by Molmil
Crystal Structure of Yeast UBP3-associated Protein BRE5
Descriptor: UBP3-associated protein BRE5
Authors:Li, K, Zhao, K, Ossareh-Nazari, B, Da, G, Dargemont, C, Marmorstein, R.
Deposit date:2005-06-06
Release date:2005-06-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for interaction between the Ubp3 deubiquitinating enzyme and its Bre5 cofactor
J.Biol.Chem., 280, 2005
5DMM
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BU of 5dmm by Molmil
Crystal Structure of the Homocysteine Methyltransferase MmuM from Escherichia coli, Metallated form
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, BETA-MERCAPTOETHANOL, Homocysteine S-methyltransferase, ...
Authors:Li, K, Li, G, Bradbury, L.M.T, Andrew, H.D, Bruner, S.D.
Deposit date:2015-09-09
Release date:2015-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Crystal structure of the homocysteine methyltransferase MmuM from Escherichia coli.
Biochem.J., 473, 2016
5DML
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BU of 5dml by Molmil
Crystal Structure of the Homocysteine Methyltransferase MmuM from Escherichia coli, Oxidized form
Descriptor: CHLORIDE ION, Homocysteine S-methyltransferase
Authors:Li, K, Li, G, Bradbury, L.M.T, Andrew, H.D, Bruner, S.D.
Deposit date:2015-09-09
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Crystal structure of the homocysteine methyltransferase MmuM from Escherichia coli.
Biochem.J., 473, 2016
5DMN
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BU of 5dmn by Molmil
Crystal Structure of the Homocysteine Methyltransferase MmuM from Escherichia coli, Apo form
Descriptor: Homocysteine S-methyltransferase, SULFATE ION
Authors:Li, K, Li, G, Bradbury, L.M.T, Andrew, H.D, Bruner, S.D.
Deposit date:2015-09-09
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:Crystal structure of the homocysteine methyltransferase MmuM from Escherichia coli.
Biochem.J., 473, 2016
5GPJ
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BU of 5gpj by Molmil
Crystal Structure of Proton-Pumping Pyrophosphatase
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Pyrophosphate-energized vacuolar membrane proton pump
Authors:Li, K.M, Tsai, J.Y, Sun, Y.J.
Deposit date:2016-08-03
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism
Nat Commun, 7, 2016
6V2U
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BU of 6v2u by Molmil
Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib
Descriptor: CHLORIDE ION, Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib
To Be Published
6V2W
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BU of 6v2w by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7UXM
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BU of 7uxm by Molmil
Structure of PPIA in complex with FP29092, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXQ
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BU of 7uxq by Molmil
Structure of PDL1 in complex with FP28135, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, FP28135, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXP
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BU of 7uxp by Molmil
Structure of PDL1 in complex with FP28132, a Helicon Polypeptide
Descriptor: AMINO GROUP, FP28132, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXJ
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BU of 7uxj by Molmil
Structure of PPIA in complex with FP29102, a Helicon Polypeptide
Descriptor: AMINO GROUP, FP29102, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022

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