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8D9C
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BU of 8d9c by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 10
Descriptor: 2,3,4,5,6-pentafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D99
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BU of 8d99 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 7
Descriptor: 2,3,6-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D9B
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BU of 8d9b by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 9
Descriptor: 2,3,5,6-tetrafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D9A
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BU of 8d9a by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8
Descriptor: 2,3,5-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D98
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BU of 8d98 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 5
Descriptor: 3,5-difluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8EGK
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BU of 8egk by Molmil
Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120
Descriptor: AZIDE ION, All4481 protein
Authors:Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M.
Deposit date:2022-09-12
Release date:2023-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
8F54
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BU of 8f54 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F4X
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BU of 8f4x by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1-H11
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F53
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BU of 8f53 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_2
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
6ST8
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BU of 6st8 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
8BB6
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BU of 8bb6 by Molmil
Crystal structure of Arabidopsis thaliana sucrose transporter SUC1
Descriptor: Sucrose transport protein SUC1
Authors:Bavnhoej, L, Pedersen, B.P.
Deposit date:2022-10-12
Release date:2023-05-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure and sucrose binding mechanism of the plant SUC1 sucrose transporter.
Nat.Plants, 9, 2023
6RF8
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BU of 6rf8 by Molmil
Cryo-EM structure of the N-terminal DC repeat (NDC) of NDC-NDC chimera (human sequence) bound to 13-protofilament GDP-microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Manka, S.W.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A microtubule RELION-based pipeline for cryo-EM image processing.
J.Struct.Biol., 209, 2020
8ENI
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BU of 8eni by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
Descriptor: 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA
Authors:Wilce, M.C.J, Cini, D.A.
Deposit date:2022-09-30
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
6TXQ
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BU of 6txq by Molmil
The high resolution structure of the FERM domain and helical linker of human moesin
Descriptor: ACETATE ION, Moesin
Authors:Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-14
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIS
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BU of 8cis by Molmil
The FERM domain of human moesin with two bound peptides identified by phage display
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, C3P, ...
Authors:Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIU
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BU of 8ciu by Molmil
The FERM domain of human moesin mutant H288A
Descriptor: Moesin
Authors:Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIT
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BU of 8cit by Molmil
The FERM domain of human moesin mutant L281R
Descriptor: Moesin
Authors:Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.536 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIR
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BU of 8cir by Molmil
The FERM domain of human moesin with a bound peptide identified by phage display
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
Authors:Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
6S55
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BU of 6s55 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-((3-methylpiperidin-1-yl)sulfonyl)phenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
Descriptor: 1,2-ETHANEDIOL, 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide, ATPase family AAA domain-containing protein 2, ...
Authors:Chung, C.
Deposit date:2019-06-30
Release date:2019-08-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
J.Med.Chem., 62, 2019
2YIG
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BU of 2yig by Molmil
MMP13 in complex with a novel selective non zinc binding inhibitor
Descriptor: 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, CALCIUM ION, COLLAGENASE 3, ...
Authors:Gerhardt, S, Hargreaves, D.
Deposit date:2011-05-13
Release date:2011-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective Non Zinc Binding Inhibitors of Mmp13.
Bioorg.Med.Chem.Lett., 21, 2011
2M50
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BU of 2m50 by Molmil
Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a).
Descriptor: Mu-theraphotoxin-Hh2a
Authors:Gibbs, A, Minassian, N, Flinspach, M, Wickenden, A.
Deposit date:2013-02-12
Release date:2013-06-19
Last modified:2023-11-29
Method:SOLUTION NMR
Cite:Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013
6RFJ
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BU of 6rfj by Molmil
IRAK4 IN COMPLEX WITH inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
Authors:Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
Deposit date:2019-04-15
Release date:2019-10-30
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
2MH0
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BU of 2mh0 by Molmil
Solution NMR structure of the p300 Taz2:ETAD1 complex
Descriptor: Histone acetyltransferase p300, Transcription factor E2-alpha
Authors:Langelaan, D.N, Smith, S.P, Chitayat, S.
Deposit date:2013-11-12
Release date:2014-11-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights into TAZ2 domain-mediated CBP/p300 recruitment by transactivation domain 1 of the lymphopoietic transcription factor E2A.
J.Biol.Chem., 295, 2020
6S0C
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BU of 6s0c by Molmil
Crystal structure of methionine gamma-lyase from Citrobacter freundii modified by dimethylthiosulfinate
Descriptor: Cystathionine gamma-synthase, PYRIDOXAL-5'-PHOSPHATE, TRIETHYLENE GLYCOL
Authors:Revtovich, S.V, Morozova, E.A, Nikulin, A.D, Demidkina, T.V.
Deposit date:2019-06-14
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Sulfoxides of sulfur-containing amino acids are suicide substrates of Citrobacter freundii methionine gamma-lyase. Structural bases of the enzyme inactivation.
Biochimie, 168, 2020
2M4X
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BU of 2m4x by Molmil
Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a).
Descriptor: Mu-theraphotoxin-Hh2a
Authors:Gibbs, A, Flinspach, M.
Deposit date:2013-02-11
Release date:2013-06-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013

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數據於2024-07-17公開中

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