6GU7
 
 | | CDK1/Cks2 in complex with AZD5438 | | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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8E84
 | | Human PCNA mutant- C148S | | Descriptor: | Proliferating cell nuclear antigen | | Authors: | Magrino, J, Page, B, Gaubitz, C, Kelch, B.A. | | Deposit date: | 2022-08-25 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A thermosensitive PCNA allele underlies an ataxia-telangiectasia-like disorder.
J.Biol.Chem., 299, 2023
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2DVW
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2DWZ
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5Q01
 | | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea | | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide | | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-04-18 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea
To be published
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5PZR
 | | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[3-[3-[(3-chlorophenyl)sulfonylcarbamoylamino]propoxy]propyl]urea | | Descriptor: | Fructose-1,6-bisphosphatase 1, N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide) | | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-04-11 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[3-[3-[(3-chlorophenyl)sulfonylcarbamoylamino]propoxy]propyl]urea
To be published
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5Q09
 | | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-[4-bromo-6-(carbamoylamino)pyridin-2-yl]-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea | | Descriptor: | Fructose-1,6-bisphosphatase 1, N-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-04-16 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-[4-bromo-6-(carbamoylamino)pyridin-2-yl]-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
To be published
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4OGF
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4BKX
 | | The structure of HDAC1 in complex with the dimeric ELM2-SANT domain of MTA1 from the NuRD complex | | Descriptor: | ACETATE ION, HISTONE DEACETYLASE 1, METASTASIS-ASSOCIATED PROTEIN MTA1, ... | | Authors: | Millard, C.J, Watson, P.J, Celardo, I, Gordiyenko, Y, Cowley, S.M, Robinson, C.V, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2013-04-30 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Class I Hdacs Share a Common Mechanism of Regulation by Inositol Phosphates.
Mol.Cell, 51, 2013
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6P7Z
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6PAF
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8C84
 | | Crystal structure of MADS-box/MEF2D N-terminal domain complex | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2D protein | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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7W3K
 | | Structure of USP14-bound human 26S proteasome in substrate-inhibited state SD4_USP14 | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
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8IB8
 | | Human TRiC-PhLP2A-actin complex in the closed state | | Descriptor: | ACTB protein (Fragment), Phosducin-like protein 3, T-complex protein 1 subunit alpha, ... | | Authors: | Roh, S.H, Park, J, Kim, H, Lim, S. | | Deposit date: | 2023-02-09 | | Release date: | 2023-12-20 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.42 Å) | | Cite: | A structural vista of phosducin-like PhLP2A-chaperonin TRiC cooperation during the ATP-driven folding cycle.
Nat Commun, 15, 2024
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7W3C
 | | Structure of USP14-bound human 26S proteasome in substrate-engaged state ED0_USP14 | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
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7W3F
 | | Structure of USP14-bound human 26S proteasome in substrate-engaged state ED1_USP14 | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
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7W38
 | | Structure of USP14-bound human 26S proteasome in state EA2.0_UBL | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
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7W3M
 | | Structure of USP14-bound human 26S proteasome in substrate-inhibited state SD5_USP14 | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
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7W3I
 | | Structure of USP14-bound human 26S proteasome in substrate-inhibited state SB_USP14 | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
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8DL6
 | | Cryo-EM structure of human ferroportin/slc40 bound to Ca2+ in nanodisc | | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, CALCIUM ION, ... | | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | | Deposit date: | 2022-07-07 | | Release date: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of Ca 2+ transport by ferroportin.
Elife, 12, 2023
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5NW1
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclobutanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 18) | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Gadd, M.S, Soares, P, Ciulli, A. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
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6YUH
 | | Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site | | Descriptor: | Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H. | | Deposit date: | 2020-04-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Chembiochem, 22, 2021
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5NW0
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetamidocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 17) | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Gadd, M.S, Soares, P, Ciulli, A. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
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5NVZ
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetylcyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 16) | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Gadd, M.S, Soares, P, Ciulli, A. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
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5NVY
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamidopropanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl) pyrrolidine-2-carboxamide (ligand 11) | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Soares, P, Gadd, M.S, Ciulli, A. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
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