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PDB: 151 results

6GOG
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BU of 6gog by Molmil
KRAS-169 Q61H GPPNHP
Descriptor: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
Deposit date:2018-06-01
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GQY
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BU of 6gqy by Molmil
KRAS-169 Q61H GPPNHP + CH-3
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
Deposit date:2018-06-08
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5LMM
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BU of 5lmm by Molmil
Structure of E coli Hydrogenase Hyd-1 mutant E28Q
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ...
Authors:Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A.
Deposit date:2016-08-01
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Kinetic consequences of re-engineering the outer shell "canopy" above the active site of a [NiFe]-hydrogenase.
To Be Published
6F76
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BU of 6f76 by Molmil
Antibody derived (Abd-8) small molecule binding to KRAS.
Descriptor: 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ...
Authors:Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H.
Deposit date:2017-12-07
Release date:2018-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions.
Elife, 7, 2018
6GOE
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BU of 6goe by Molmil
KRAS full length G12V GPPNHP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
Deposit date:2018-06-01
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GOF
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BU of 6gof by Molmil
KRAS full length G12D GPPNHP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
Deposit date:2018-06-01
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GOD
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BU of 6god by Molmil
KRAS full length wild-type GPPNHP
Descriptor: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
Authors:Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
Deposit date:2018-06-01
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1F9N
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BU of 1f9n by Molmil
CRYSTAL STRUCTURE OF AHRC, THE ARGININE REPRESSOR/ACTIVATOR PROTEIN FROM BACILLUS SUBTILIS
Descriptor: ARGININE REPRESSOR/ACTIVATOR PROTEIN
Authors:Dennis, C.A, Glykos, N.M, Parsons, M.R, Phillips, S.E.V.
Deposit date:2000-07-11
Release date:2002-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of AhrC, the arginine repressor/activator protein from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 58, 2002
5A4I
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BU of 5a4i by Molmil
The mechanism of Hydrogen activation by NiFE-hydrogenases
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.C, Phillips, S.E.V, Armstrong, F.A.
Deposit date:2015-06-10
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
5A4F
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BU of 5a4f by Molmil
The mechanism of Hydrogen Activation by NiFe-hydrogenases.
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A.
Deposit date:2015-06-09
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
5ADU
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BU of 5adu by Molmil
The Mechanism of Hydrogen Activation by NiFe-hydrogenases
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Evans, R, Brooke, E.J, Wehlin, S.A, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A.
Deposit date:2015-08-24
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
6GOM
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BU of 6gom by Molmil
KRAS-169 Q61H GPPNHP + PPIN-1
Descriptor: (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ...
Authors:Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
Deposit date:2018-06-01
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4AUE
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BU of 4aue by Molmil
Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J.
Deposit date:2012-05-17
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
1FZR
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BU of 1fzr by Molmil
CRYSTAL STRUCTURE OF BACTERIOPHAGE T7 ENDONUCLEASE I
Descriptor: ENDONUCLEASE I
Authors:Hadden, J.M, Convery, M.A, Declais, A.C, Lilley, D.M.J, Phillips, S.E.V.
Deposit date:2000-10-04
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the Holliday junction resolving enzyme T7 endonuclease I.
Nat.Struct.Biol., 8, 2001
6FA3
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BU of 6fa3 by Molmil
Antibody derived (Abd-6) small molecule binding to KRAS.
Descriptor: DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ...
Authors:Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
Deposit date:2017-12-15
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
6GQW
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BU of 6gqw by Molmil
KRAS-169 Q61H GPPNHP + CH-1
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
Deposit date:2018-06-08
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GQT
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BU of 6gqt by Molmil
KRAS-169 Q61H GPPNHP + PPIN-2
Descriptor: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
Deposit date:2018-06-08
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GQX
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BU of 6gqx by Molmil
KRAS-169 Q61H GPPNHP + CH-2
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
Deposit date:2018-06-08
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7UI5
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BU of 7ui5 by Molmil
Evolution avoids a pathological stabilizing interaction in the immune protein S100A9
Descriptor: CALCIUM ION, Protein S100-A9
Authors:Reardon, P.N, Harman, J.L, Costello, S.M, Warren, G.D, Phillips, S.R, Connor, P.J, Marqusee, S, Harms, M.J.
Deposit date:2022-03-28
Release date:2022-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Evolution avoids a pathological stabilizing interaction in the immune protein S100A9.
Proc.Natl.Acad.Sci.USA, 119, 2022
5OCT
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BU of 5oct by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GTPase KRas, ...
Authors:Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
Deposit date:2017-07-03
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
5OCG
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BU of 5ocg by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, GTPase KRas, ...
Authors:Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
Deposit date:2017-06-30
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
5OCO
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BU of 5oco by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, GTPase KRas, ...
Authors:Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
Deposit date:2017-07-03
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
1MJL
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BU of 1mjl by Molmil
METHIONINE REPRESSOR MUTANT (Q44K) COMPLEX WITH THE COREPRESSOR SAM (S-ADENOSYL METHIONINE) FROM ESCHERICHIA COLI
Descriptor: METHIONINE REPRESSOR PROTEIN METJ, S-ADENOSYLMETHIONINE
Authors:Garvie, C.W, Phillips, S.E.V.
Deposit date:1998-01-26
Release date:1998-04-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic studies of the methionine repressor-operator complex and the oc31 42kDa repressor
Thesis, University of Leeds, 1997
1LVN
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BU of 1lvn by Molmil
CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE COMPLEXED WITH TRANYLCYPROMINE
Descriptor: CALCIUM ION, COPPER (II) ION, Copper amine oxidase
Authors:Wilmot, C.M, Phillips, S.E.
Deposit date:2002-05-28
Release date:2003-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Medical implications from the crystal structure of a copper-containing amine oxidase complexed with the antidepressant drug tranylcypromine.
Febs Lett., 576, 2004
4CWE
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BU of 4cwe by Molmil
Structural studies of rolling circle replication initiation protein from Staphylococcus aureus
Descriptor: REPLICATION INITIATION PROTEIN
Authors:Carr, S.B, Phillips, S.E.V, Thomas, C.D.
Deposit date:2014-04-02
Release date:2015-04-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of Replication Initiation Proteins from Staphylococcal Antibiotic Resistance Plasmids Reveal Protein Asymmetry and Flexibility are Necessary for Replication.
Nucleic Acids Res., 44, 2016

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數據於2024-06-12公開中

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