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6GGF
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BU of 6ggf by Molmil
Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32000017 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
2X9D
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BU of 2x9d by Molmil
Tet repressor (class D) in complex with iso-7-chlortetracycline
Descriptor: CHLORIDE ION, ISO-7-CHLORTETRACYCLINE, TETRACYCLINE REPRESSOR PROTEIN CLASS D
Authors:Volkers, G, Hinrichs, W.
Deposit date:2010-03-15
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Recognition of Drug Degradation Products by Target Proteins: Isotetracycline Binding to Tet Repressor.
J.Med.Chem., 54, 2011
7LS1
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BU of 7ls1 by Molmil
80S ribosome from mouse bound to eEF2 (Class II)
Descriptor: 28S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Loerch, S, Smith, P.R, Kunder, N, Stanowick, A.D, Lou, T.-F, Campbell, Z.T.
Deposit date:2021-02-17
Release date:2021-11-03
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Functionally distinct roles for eEF2K in the control of ribosome availability and p-body abundance.
Nat Commun, 12, 2021
7LS2
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BU of 7ls2 by Molmil
80S ribosome from mouse bound to eEF2 (Class I)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loerch, S, Smith, P.R, Kunder, N, Stanowick, A.D, Lou, T.-F, Campbell, Z.T.
Deposit date:2021-02-17
Release date:2021-11-03
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Functionally distinct roles for eEF2K in the control of ribosome availability and p-body abundance.
Nat Commun, 12, 2021
2VKE
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BU of 2vke by Molmil
Tet repressor class D complexed with cobalt and tetracycline
Descriptor: CHLORIDE ION, COBALT (II) ION, TETRACYCLINE, ...
Authors:Palm, G.J, Hinrichs, W.
Deposit date:2007-12-18
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Specific Binding of Divalent Metal Ions to Tetracycline and to the Tet Repressor/Tetracycline Complex.
J.Biol.Inorg.Chem., 13, 2008
2VG7
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BU of 2vg7 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
Descriptor: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
Authors:Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
Deposit date:2007-11-08
Release date:2007-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
5LSF
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BU of 5lsf by Molmil
Sacbrood honeybee virus
Descriptor: CALCIUM ION, VP1, VP2, ...
Authors:Plevka, P, Veselikova, M.
Deposit date:2016-08-26
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Virion structure and genome delivery mechanism of sacbrood honeybee virus.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6OWI
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BU of 6owi by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85
Descriptor: GLYCEROL, Histone acetyltransferase KAT8, N'-[(2-fluorophenyl)sulfonyl]benzohydrazide, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-05-09
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
5LGT
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BU of 5lgt by Molmil
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15
Descriptor: 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Mattevi, A, Ciossani, G.
Deposit date:2016-07-08
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
Descriptor: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
5LNK
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BU of 5lnk by Molmil
Entire ovine respiratory complex I
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ...
Authors:Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A.
Deposit date:2016-08-04
Release date:2016-11-23
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Atomic structure of the entire mammalian mitochondrial complex I.
Nature, 538, 2016
6OIN
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BU of 6oin by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143
Descriptor: 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
6ON2
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BU of 6on2 by Molmil
Lon Protease from Yersinia pestis with Y2853 substrate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent protease La, ...
Authors:Shin, M, Asmita, A, Puchades, C, Adjei, E, Wiseman, R.L, Karzai, A.W, Lander, G.C.
Deposit date:2019-04-19
Release date:2019-05-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for distinct operational modes and protease activation in AAA+ protease Lon.
Sci Adv, 6, 2020
6OJ5
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BU of 6oj5 by Molmil
In situ structure of rotavirus VP1 RNA-dependent RNA polymerase (TLP_RNA)
Descriptor: Inner capsid protein VP2, RNA-directed RNA polymerase
Authors:Jenni, S, Salgado, E.N, Herrmann, T, Li, Z, Grant, T, Grigorieff, N, Trapani, S, Estrozi, L.F, Harrison, S.C.
Deposit date:2019-04-10
Release date:2019-04-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:In situ Structure of Rotavirus VP1 RNA-Dependent RNA Polymerase.
J.Mol.Biol., 431, 2019
6O6V
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BU of 6o6v by Molmil
Crystal structure of Csm6 in complex with cA4 by soaking cA4 into Csm6
Descriptor: Csm6, Cyclic RNA cA4
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
1VSR
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BU of 1vsr by Molmil
VERY SHORT PATCH REPAIR (VSR) ENDONUCLEASE FROM ESCHERICHIA COLI
Descriptor: PROTEIN (VSR ENDONUCLEASE), ZINC ION
Authors:Tsutakawa, S.E, Muto, T, Jingami, H, Kunishima, N, Ariyoshi, M, Kohda, D, Nakagawa, M, Morikawa, K.
Deposit date:1999-02-13
Release date:1999-10-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic and functional studies of very short patch repair endonuclease.
Mol.Cell, 3, 1999
5LPJ
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BU of 5lpj by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
Descriptor: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
1VEW
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BU of 1vew by Molmil
MANGANESE SUPEROXIDE DISMUTASE FROM ESCHERICHIA COLI
Descriptor: HYDROXIDE ION, MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
Authors:Edwards, R.A, Baker, H.M, Whittaker, M.M, Whittaker, J.W, Jameson, G.B, Baker, E.N.
Deposit date:1998-01-20
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Escherichia coli manganese superoxide dismutase at 2.1-angstrom resolution.
J.Biol.Inorg.Chem., 3, 1998
6OJ4
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BU of 6oj4 by Molmil
In situ structure of rotavirus VP1 RNA-dependent RNA polymerase (DLP)
Descriptor: Inner capsid protein VP2, RNA-directed RNA polymerase
Authors:Jenni, S, Salgado, E.N, Herrmann, T, Li, Z, Grant, T, Grigorieff, N, Trapani, S, Estrozi, L.F, Harrison, S.C.
Deposit date:2019-04-10
Release date:2019-04-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:In situ Structure of Rotavirus VP1 RNA-Dependent RNA Polymerase.
J.Mol.Biol., 431, 2019
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
6ODC
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BU of 6odc by Molmil
Crystal structure of HDAC8 in complex with compound 30
Descriptor: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6OIO
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BU of 6oio by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60
Descriptor: Histone acetyltransferase KAT8, N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, ZINC ION
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
5M35
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BU of 5m35 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
5LPL
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BU of 5lpl by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c
Descriptor: CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Wohlwend, D, Huegle, M.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LGU
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BU of 5lgu by Molmil
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34
Descriptor: 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Mattevi, A, Ciossani, G.
Deposit date:2016-07-08
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017

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