4AV1
 
 | | Crystal structure of the human PARP-1 DNA binding domain in complex with DNA | | Descriptor: | 5'-D(*AP*AP*GP*TP*GP*TP*TP*GP*CP*AP*TP*TP)-3', 5'-D(*TP*AP*AP*TP*GP*CP*AP*AP*CP*AP*CP*TP)-3', POLY [ADP-RIBOSE] POLYMERASE 1, ... | | Authors: | Ali, A.A.E, Timinszky, G, Arribas-Bosacoma, R, Kozlowski, M, Hassa, P.O, Hassler, M, Ladurner, A.G, Pearl, L.H, Oliver, A.W. | | Deposit date: | 2012-05-23 | | Release date: | 2012-06-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Zinc-Finger Domains of Parp1 Cooperate to Recognise DNA Strand-Breaks
Nat.Struct.Mol.Biol., 19, 2012
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8A8S
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8AA8
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6VE7
 | | The inner junction complex of Chlamydomonas reinhardtii doublet microtubule | | Descriptor: | Cilia- and flagella-associated protein 20, FAP276, FAP52, ... | | Authors: | Khalifa, A.A.Z, Ichikawa, M, Bui, K.H. | | Deposit date: | 2019-12-30 | | Release date: | 2020-02-05 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The inner junction complex of the cilia is an interaction hub that involves tubulin post-translational modifications.
Elife, 9, 2020
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8P0I
 | | Crystal structure of the open conformation of insulin-regulated aminopeptidase in complex with a small-MW inhibitor | | Descriptor: | 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-methyl-N-[(2-methylpyridin-3-yl)methyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mpakali, A, Giastas, P, Stratikos, E. | | Deposit date: | 2023-05-10 | | Release date: | 2024-09-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Stabilization of the open conformation omicron f insulin-regulated aminopeptidase by a novel substrate-selective small-molecule inhibitor.
Protein Sci., 33, 2024
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2WKZ
 | | HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | | Descriptor: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | | Authors: | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | | Deposit date: | 2009-06-19 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
J.Med.Chem., 53, 2010
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2WL0
 | | HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | | Descriptor: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | | Authors: | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | | Deposit date: | 2009-06-19 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
J.Med.Chem., 53, 2010
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4EON
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 | | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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7B6Z
 | | TRAPPC11 subunit (1-716) | | Descriptor: | Trafficking protein particle complex subunit 11 | | Authors: | Galindo, A, Munro, S, Planelles-Herrero, V.J. | | Deposit date: | 2020-12-08 | | Release date: | 2022-01-12 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Structural insights into the metazoan TRAPP complexes that activate Rab1 and
Rab11.
To Be Published
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7N3S
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7N3R
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7B6Y
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7NSK
 | | Endoplasmic reticulum aminopeptidase 2 complexed with a hydroxamic ligand | | Descriptor: | (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | | Authors: | Mpakali, A, Giastas, P, Stratikos, E. | | Deposit date: | 2021-03-08 | | Release date: | 2022-06-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Endoplasmic reticulum aminopeptidase 2 in complex with a phosphinic ligand
To Be Published
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7NUP
 | | Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand | | Descriptor: | (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mpakali, A, Giastas, P, Stratikos, E. | | Deposit date: | 2021-03-12 | | Release date: | 2022-06-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand
To Be Published
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7LP2
 | | Structure of Nedd4L WW3 domain | | Descriptor: | Angiomotin, E3 ubiquitin-protein ligase, GLYCEROL, ... | | Authors: | Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I. | | Deposit date: | 2021-02-11 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
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7LP3
 | | Structure of Nedd4L WW3 domain | | Descriptor: | Angiomotin, E3 ubiquitin-protein ligase NEDD4-like, SULFATE ION | | Authors: | Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I. | | Deposit date: | 2021-02-11 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
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7B6X
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5ZEH
 | | Crystal structure of Entamoeba histolytica Arginase in complex with L- Ornithine at 2.35 A | | Descriptor: | 1,2-ETHANEDIOL, Arginase, L-ornithine, ... | | Authors: | Malik, A, Dalal, V, Ankri, S, Tomar, S. | | Deposit date: | 2018-02-27 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
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7LP1
 | | Structure of Nedd4L WW3 domain | | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like, GLYCEROL, NITRATE ION | | Authors: | Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I. | | Deposit date: | 2021-02-11 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
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6YDX
 | | Insulin-regulated aminopeptidase complexed with a macrocyclic peptidic inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mpakali, A, Saridakis, E, Giastas, P, Stratikos, E. | | Deposit date: | 2020-03-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Basis of Inhibition of Insulin-Regulated Aminopeptidase by a Macrocyclic Peptidic Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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5ZEF
 | | Crystal structure of Entamoeba histolytica Arginase in complex with L- Norvaline at 2.01 A | | Descriptor: | 1,2-ETHANEDIOL, Arginase, GLYCEROL, ... | | Authors: | Malik, A, Dalal, V, Ankri, S, Tomar, S. | | Deposit date: | 2018-02-27 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
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7B6H
 | | Drosophila melanogaster TRAPP C11 subunits region 1 to 718 | | Descriptor: | Trafficking protein particle complex subunit 11 | | Authors: | Galindo, A, Munro, S, Planelles-Herrero, V.J, Degliesposti, G. | | Deposit date: | 2020-12-07 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Cryo-EM structure of metazoan TRAPPIII, the multi-subunit complex that activates the GTPase Rab1.
Embo J., 40, 2021
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5ZEE
 | | Crystal structure of Entamoeba histolytica Arginase in complex with N(omega)-hydroxy-L-arginine (NOHA) at 1.74 A | | Descriptor: | 1,2-ETHANEDIOL, Arginase, MANGANESE (II) ION, ... | | Authors: | Malik, A, Dalal, V, Ankri, S, Tomar, S. | | Deposit date: | 2018-02-27 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
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2WBR
 | | The RRM domain in GW182 proteins contributes to miRNA-mediated gene silencing | | Descriptor: | GW182 | | Authors: | Eulalio, A, Tritschler, F, Buettner, R, Weichenrieder, O, Izaurralde, E, Truffault, V. | | Deposit date: | 2009-03-03 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Rrm Domain in Gw182 Proteins Contributes to Mirna-Mediated Gene Silencing.
Nucleic Acids Res., 37, 2009
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7ZYF
 | | Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mpakali, A, Stratikos, E, Giastas, P, Papakyriakou, A. | | Deposit date: | 2022-05-24 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin.
J.Med.Chem., 65, 2022
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