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7NT4
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BU of 7nt4 by Molmil
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
1WQJ
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BU of 1wqj by Molmil
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
3PLV
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BU of 3plv by Molmil
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
3PLU
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BU of 3plu by Molmil
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
3RMP
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BU of 3rmp by Molmil
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
3TU1
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BU of 3tu1 by Molmil
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
3V3B
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BU of 3v3b by Molmil
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
3V3V
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BU of 3v3v by Molmil
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
3TJ2
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BU of 3tj2 by Molmil
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
6I7A
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BU of 6i7a by Molmil
Co-crystal structure of human SPOP MATH domain (D140N) and human BRD3 fragment
Descriptor: Bromodomain-containing protein 3, Speckle-type POZ protein
Authors:Ostertag, M.S, Popowicz, G.M, Sattler, M.
Deposit date:2018-11-16
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into BET Client Recognition of Endometrial and Prostate Cancer-Associated SPOP Mutants.
J.Mol.Biol., 431, 2019
6I41
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BU of 6i41 by Molmil
Co-crystal structure of human SPOP MATH domain (wild-type) and human BRD3 fragment
Descriptor: Bromodomain-containing protein 3, Speckle-type POZ protein
Authors:Ostertag, M.S, Popowicz, G.M, Sattler, M.
Deposit date:2018-11-08
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into BET Client Recognition of Endometrial and Prostate Cancer-Associated SPOP Mutants.
J.Mol.Biol., 431, 2019
6I5P
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BU of 6i5p by Molmil
Co-crystal structure of human SPOP MATH domain (E47K) and human BRD3 fragment
Descriptor: Bromodomain-containing protein 3, Speckle-type POZ protein
Authors:Ostertag, M.S, Popowicz, G.M, Sattler, M.
Deposit date:2018-11-14
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Insights into BET Client Recognition of Endometrial and Prostate Cancer-Associated SPOP Mutants.
J.Mol.Biol., 431, 2019
6I68
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BU of 6i68 by Molmil
Co-crystal structure of human SPOP MATH domain (M117V) and human BRD3 fragment
Descriptor: Bromodomain-containing protein 3, Speckle-type POZ protein
Authors:Ostertag, M.S, Popowicz, G.M, Sattler, M.
Deposit date:2018-11-15
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insights into BET Client Recognition of Endometrial and Prostate Cancer-Associated SPOP Mutants.
J.Mol.Biol., 431, 2019
6RZS
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BU of 6rzs by Molmil
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
6R79
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BU of 6r79 by Molmil
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
6RZR
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BU of 6rzr by Molmil
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
6S0H
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BU of 6s0h by Molmil
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
6R78
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BU of 6r78 by Molmil
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
3JTZ
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BU of 3jtz by Molmil
Structure of the arm-type binding domain of HPI integrase
Descriptor: Integrase, SODIUM ION
Authors:Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A.
Deposit date:2009-09-14
Release date:2009-10-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
3JU0
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BU of 3ju0 by Molmil
Structure of the arm-type binding domain of HAI7 integrase
Descriptor: Phage integrase
Authors:Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A.
Deposit date:2009-09-14
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
3MMV
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BU of 3mmv by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
Authors:Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
Deposit date:2010-04-20
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MN5
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BU of 3mn5 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
Deposit date:2010-04-21
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MN6
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BU of 3mn6 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
Authors:Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
Deposit date:2010-04-21
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MN9
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BU of 3mn9 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
Authors:Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
Deposit date:2010-04-21
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MN7
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BU of 3mn7 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
Authors:Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
Deposit date:2010-04-21
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010

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