3FDO
 
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6I7A
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6I41
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6I5P
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3TU1
 | | Exhaustive Fluorine Scanning towards Potent p53-MDM2 Antagonist | | Descriptor: | 3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Wolf, S, Huang, Y, Koes, D, Popowicz, G.M, Camacho, C.J, Holak, T.A, Doemling, A. | | Deposit date: | 2011-09-15 | | Release date: | 2011-11-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Exhaustive Fluorine Scanning toward Potent p53-Mdm2 Antagonists.
Chemmedchem, 7, 2012
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3PLV
 | | Structure of Hub-1 protein in complex with Snu66 peptide (HINDII) | | Descriptor: | 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Ubiquitin-like modifier HUB1 | | Authors: | Mishra, S.K, Ammon, T, Popowicz, G.M, Krajewski, M, Nagel, R.J, Ares, M, Holak, T.A, Jentsch, S. | | Deposit date: | 2010-11-15 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing.
Nature, 474, 2011
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3V3B
 | | Structure of the Stapled p53 Peptide Bound to Mdm2 | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, SAH-p53-8 stapled-peptide | | Authors: | Baek, S, Kutchukian, P.S, Verdine, G.L, Huber, R, Holak, T.A, Ki Won, L, Popowicz, G.M. | | Deposit date: | 2011-12-13 | | Release date: | 2012-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the stapled p53 peptide bound to Mdm2.
J.Am.Chem.Soc., 134, 2012
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3V3V
 | | Structural and functional analysis of quercetagetin, a natural JNK1 inhibitor | | Descriptor: | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, C-Jun-amino-terminal kinase-interacting protein 1, CHLORIDE ION, ... | | Authors: | Baek, S, Kang, N.J, Popowicz, G.M, Arciniega, M, Jung, S.K, Byun, S, Song, N.R, Heo, Y.S, Kim, B.Y, Lee, H.J, Holak, T.A, Augustin, M, Bode, A.M, Huber, R, Dong, Z, Lee, K.W. | | Deposit date: | 2011-12-14 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Functional Analysis of the Natural JNK1 Inhibitor Quercetagetin.
J.Mol.Biol., 425, 2013
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3TJ2
 | | Structure of a novel submicromolar MDM2 inhibitor | | Descriptor: | 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, POTASSIUM ION | | Authors: | Wolf, S, Huang, Y, Popowicz, G.M, Goda, S, Holak, T.A, Doemling, A. | | Deposit date: | 2011-08-23 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ugi Multicomponent Reaction Derived p53-Mdm2 Antagonists
To be published
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3PLU
 | | Structure of Hub-1 protein in complex with Snu66 peptide (HINDI) | | Descriptor: | 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Ubiquitin-like modifier HUB1 | | Authors: | Mishra, S.K, Ammon, T, Popowicz, G.M, Krajewski, M, Nagel, R.J, Ares, M, Holak, T.A, Jentsch, S. | | Deposit date: | 2010-11-15 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing.
Nature, 474, 2011
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3RMP
 | | Structural basis for the recognition of attP substrates by P4-like integrases | | Descriptor: | 5'-D(*TP*AP*AP*TP*GP*AP*CP*CP*AP*CP*CP*AP*AP*TP*A)-3', 5'-D(*TP*AP*TP*TP*GP*GP*TP*GP*GP*TP*CP*AP*TP*TP*A)-3', CP4-like integrase | | Authors: | Szwagierczak, A, Popowicz, G.M, Holak, T.A, Rakin, A, Antonenka, U. | | Deposit date: | 2011-04-21 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for the recognition of attP substrates by P4-like integrases
To be Published
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2DSQ
 | | Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins | | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor-binding protein 1, Insulin-like growth factor-binding protein 4 | | Authors: | Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A. | | Deposit date: | 2006-07-05 | | Release date: | 2006-08-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2DSP
 | | Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins | | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor-binding protein 4 | | Authors: | Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A. | | Deposit date: | 2006-07-05 | | Release date: | 2006-08-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2DSR
 | | Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins | | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor-binding protein 4 | | Authors: | Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A. | | Deposit date: | 2006-07-05 | | Release date: | 2006-08-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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7NT4
 | | X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ... | | Authors: | Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M. | | Deposit date: | 2021-03-09 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell Chem Biol, 29, 2022
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1WQJ
 | | Structural Basis for the Regulation of Insulin-Like Growth Factors (IGFs) by IGF Binding Proteins (IGFBPs) | | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor binding protein 4 | | Authors: | Siwanowicz, I, Popowicz, G.M, Wisniewska, M, Huber, R, Kuenkele, K.P, Lang, K, Engh, R.A, Holak, T.A. | | Deposit date: | 2004-09-29 | | Release date: | 2005-03-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the regulation of insulin-like growth factors by IGF binding proteins
Structure, 13, 2005
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6R79
 | | Structure of IMP-13 metallo-beta-lactamase in apo form (loop open) | | Descriptor: | BETA-MERCAPTOETHANOL, Beta-lactamase, GLYCEROL, ... | | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | | Deposit date: | 2019-03-28 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
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6R78
 | | Structure of IMP-13 metallo-beta-lactamase in apo form (loop closed) | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Beta-lactamase, ... | | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | | Deposit date: | 2019-03-28 | | Release date: | 2020-04-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
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6RZS
 | | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed ertapenem | | Descriptor: | Beta-lactamase, ZINC ION, hydrolysed ertapenem | | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | | Deposit date: | 2019-06-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
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6RZR
 | | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed imipenem | | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | | Deposit date: | 2019-06-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
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6S0H
 | | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed doripenem | | Descriptor: | (2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | | Deposit date: | 2019-06-14 | | Release date: | 2020-04-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
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1ZLI
 | | Crystal structure of the tick carboxypeptidase inhibitor in complex with human carboxypeptidase B | | Descriptor: | Carboxypeptidase B, ZINC ION, carboxypeptidase inhibitor | | Authors: | Arolas, J.L, Popowicz, G.M, Lorenzo, J, Sommerhoff, C.P, Huber, R, Aviles, F.X, Holak, T.A. | | Deposit date: | 2005-05-06 | | Release date: | 2005-07-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The Three-Dimensional Structures of Tick Carboxypeptidase Inhibitor in Complex with A/B Carboxypeptidases Reveal a Novel Double-headed Binding Mode
J.Mol.Biol., 350, 2005
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1ZFI
 | | Solution structure of the leech carboxypeptidase inhibitor | | Descriptor: | Metallocarboxypeptidase inhibitor | | Authors: | Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S. | | Deposit date: | 2005-04-20 | | Release date: | 2005-09-13 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005
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1ZFL
 | | Solution structure of III-A, the major intermediate in the oxidative folding of leech carboxypeptidase inhibitor | | Descriptor: | Metallocarboxypeptidase inhibitor | | Authors: | Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S. | | Deposit date: | 2005-04-20 | | Release date: | 2005-09-13 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005
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1ZLH
 | | Crystal structure of the tick carboxypeptidase inhibitor in complex with bovine carboxypeptidase A | | Descriptor: | Carboxypeptidase A1, ZINC ION, carboxypeptidase inhibitor | | Authors: | Arolas, J.L, Popowicz, G.M, Lorenzo, J, Sommerhoff, C.P, Huber, R, Aviles, F.X, Holak, T.A. | | Deposit date: | 2005-05-06 | | Release date: | 2005-07-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Three-Dimensional Structures of Tick Carboxypeptidase Inhibitor in Complex with A/B Carboxypeptidases Reveal a Novel Double-headed Binding Mode
J.Mol.Biol., 350, 2005
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