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PDB: 1599 results

7JUN
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BU of 7jun by Molmil
Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature
Descriptor: 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2020-08-20
Release date:2020-09-02
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.
J.Biol.Chem., 295, 2020
2KHC
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BU of 2khc by Molmil
Bruno RRM3+
Descriptor: Testis-specific RNP-type RNA binding protein
Authors:Lyon, A.M, Reveal, B.S, Macdonald, P.M, Hoffman, D.W.
Deposit date:2009-04-01
Release date:2009-12-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Bruno protein contains an expanded RNA recognition motif.
Biochemistry, 48, 2009
6VH7
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BU of 6vh7 by Molmil
Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
Descriptor: Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-09
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
7JTH
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BU of 7jth by Molmil
Cryo-EM structure of unliganded octameric prenyltransferase domain of Phomopsis amygdali fusicoccadiene synthase
Descriptor: Fusicoccadiene synthase
Authors:Faylo, J.L, van Eeuwen, T, Murakami, K, Christianson, D.W.
Deposit date:2020-08-17
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insight on assembly-line catalysis in terpene biosynthesis.
Nat Commun, 12, 2021
7JOM
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BU of 7jom by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-317
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Hdac6 protein, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-08-06
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype.
J.Med.Chem., 64, 2021
6UO7
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BU of 6uo7 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with AR-42
Descriptor: AR-42, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-10-14
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.39501321 Å)
Cite:Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
6V0T
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BU of 6v0t by Molmil
Crystal Structure of Catalytic Subunit of Bovine Pyruvate Dehydrogenase Phosphatase 1 - Catalytic Domain
Descriptor: MANGANESE (II) ION, SULFATE ION, [Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, ...
Authors:Guo, Y, Qiu, W, Ernst, S.R, Carroll, D.W, Hackert, M.L.
Deposit date:2019-11-19
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the catalytic subunit of bovine pyruvate dehydrogenase phosphatase.
Acta Crystallogr.,Sect.F, 76, 2020
6V0K
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BU of 6v0k by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain
Descriptor: GLYCEROL, Terpene synthase
Authors:Christianson, D.W, Ronnebaum, T.A.
Deposit date:2019-11-18
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Higher-order oligomerization of a chimeric alpha beta gamma bifunctional diterpene synthase with prenyltransferase and class II cyclase activities is concentration-dependent.
J.Struct.Biol., 210, 2020
6V7A
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BU of 6v7a by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2657
Descriptor: Hdac6 protein, N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-12-08
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.0874176 Å)
Cite:Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation.
Acs Med.Chem.Lett., 11, 2020
7KJG
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BU of 7kjg by Molmil
F96M epi-isozizaene synthase: complex with 3 Mg2+ and BTAC
Descriptor: GLYCEROL, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
Authors:Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
Deposit date:2020-10-26
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
7KJD
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BU of 7kjd by Molmil
F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
Deposit date:2020-10-26
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
7KUS
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BU of 7kus by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N8-Acetylspermidine (Tetrahedral Intermediate)
Descriptor: 1,2-ETHANEDIOL, 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
7KJF
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BU of 7kjf by Molmil
Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and neridronate
Descriptor: (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid, GLYCEROL, MAGNESIUM ION, ...
Authors:Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
Deposit date:2020-10-26
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
6VHA
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BU of 6vha by Molmil
Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
Descriptor: Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-09
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
7KUQ
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BU of 7kuq by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 Y307F Mutant in Complex with N8-Acetylspermidine
Descriptor: N-{4-[(3-aminopropyl)amino]butyl}acetamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
7KJ9
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BU of 7kj9 by Molmil
Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
Deposit date:2020-10-26
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
7KUR
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BU of 7kur by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 Y307F Mutant in Complex with N-Acetylputrescine
Descriptor: DI(HYDROXYETHYL)ETHER, N-(4-aminobutyl)acetamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
7KJE
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BU of 7kje by Molmil
F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridronate
Descriptor: (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid, MAGNESIUM ION, SULFATE ION, ...
Authors:Ronnebaum, T.A, Gardner, S, Christianson, D.W.
Deposit date:2020-10-26
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
7KUT
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BU of 7kut by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N-Acetylputrescine (Tetrahedral Intermediate)
Descriptor: 1,2-ETHANEDIOL, 1-[(4-aminobutyl)amino]ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
6UOC
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BU of 6uoc by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Givinostat
Descriptor: 1,2-ETHANEDIOL, Givinostat, Histone deacetylase 6, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-10-14
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.400008 Å)
Cite:Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
6UOB
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BU of 6uob by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Resminostat
Descriptor: 1,2-ETHANEDIOL, Histone deacetylase 6, PHENYLALANINE, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-10-14
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58000576 Å)
Cite:Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
6UQD
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BU of 6uqd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a SuFEx-based optimized small molecule inhibitor
Descriptor: Streptopain, benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
Authors:Wolan, D.W, Woehl, J.L, Kitamura, S.
Deposit date:2019-10-18
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Sulfur(VI) Fluoride Exchange (SuFEx)-Enabled High-Throughput Medicinal Chemistry.
J.Am.Chem.Soc., 142, 2020
7KUV
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BU of 7kuv by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
7L1F
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BU of 7l1f by Molmil
SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (5'-R(P*AP*UP*UP*UP*UP*AP*AP*UP*AP*GP*CP*UP*UP*CP*UP*UP*AP*G)-3'), ...
Authors:Bravo, J.P.K, Taylor, D.W.
Deposit date:2020-12-14
Release date:2021-02-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Remdesivir is a delayed translocation inhibitor of SARS-CoV-2 replication.
Mol.Cell, 81, 2021
7KJ8
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BU of 7kj8 by Molmil
Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and pamidronate
Descriptor: MAGNESIUM ION, PAMIDRONATE, SULFATE ION, ...
Authors:Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
Deposit date:2020-10-26
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020

224201

數據於2024-08-28公開中

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