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4BMW
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BU of 4bmw by Molmil
Crystal structure of the Streptomyces reticuli HbpS E78D, E81D double mutant
Descriptor: EXTRACELLULAR HAEM-BINDING PROTEIN
Authors:Wagener, S, Kursula, I, Wedderhoff, I, Groves, M.R, Ortiz de Orue Lucana, D.
Deposit date:2013-05-11
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Iron Binding at Specific Sites within the Octameric Hbps Protects Streptomycetes from Iron-Mediated Oxidative Stress.
Plos One, 8, 2013
7MMO
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BU of 7mmo by Molmil
LY-CoV1404 neutralizing antibody against SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ...
Authors:Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
Deposit date:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.427 Å)
Cite:LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants.
Biorxiv, 2022
6DO4
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BU of 6do4 by Molmil
KLHDC2 ubiquitin ligase in complex with SelS C-end degron
Descriptor: Kelch domain-containing protein 2, SELS C-END DEGRON
Authors:Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N.
Deposit date:2018-06-08
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase.
Mol. Cell, 72, 2018
6DO3
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BU of 6do3 by Molmil
KLHDC2 ubiquitin ligase in complex with SelK C-end degron
Descriptor: Kelch domain-containing protein 2, SelK C-end Degron
Authors:Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N.
Deposit date:2018-06-08
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.165 Å)
Cite:Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase.
Mol. Cell, 72, 2018
3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2009-08-05
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009
5NTD
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BU of 5ntd by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTH
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BU of 5nth by Molmil
Structure of Leucyl aminopeptidase from Leishmania major in complex with actinonin
Descriptor: ACTINONIN, BICARBONATE ION, MANGANESE (II) ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NSK
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BU of 5nsk by Molmil
apo Structure of Leucyl aminopeptidase from Trypanosoma brucei
Descriptor: Aminopeptidase, putative
Authors:Timm, J, Wilson, K.S.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTF
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BU of 5ntf by Molmil
apo Structure of Leucyl aminopeptidase from Trypanosoma cruzi
Descriptor: Aminopeptidase, SULFATE ION
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2017
5NSM
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BU of 5nsm by Molmil
unliganded Structure of Leucyl aminopeptidase from Trypanosoma brucei
Descriptor: Aminopeptidase, putative, BICARBONATE ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NSQ
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BU of 5nsq by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Actinonin
Descriptor: ACTINONIN, Aminopeptidase, putative, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTG
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BU of 5ntg by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma cruzi in complex with citrate
Descriptor: Aminopeptidase, CITRIC ACID, MANGANESE (II) ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2017
7Q4A
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BU of 7q4a by Molmil
Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib
Descriptor: Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Swale, C, Bellini, V, Bowler, M.
Deposit date:2021-10-29
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
5C9C
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BU of 5c9c by Molmil
CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND
Descriptor: 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf
Authors:Edwards, T, Abendroth, J, Chun, L.
Deposit date:2015-06-26
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28, 2015
8C86
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BU of 8c86 by Molmil
Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 2
Descriptor: (2,4-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
Authors:Poonsiri, T, Benini, S, Loconte, V, Cianci, M.
Deposit date:2023-01-18
Release date:2024-01-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity.
Int J Mol Sci, 25, 2023
8C85
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BU of 8c85 by Molmil
Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 1
Descriptor: (3,5-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
Authors:Poonsiri, T, Benini, S, Loconte, V, Cianci, M.
Deposit date:2023-01-18
Release date:2024-01-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity.
Int J Mol Sci, 25, 2023
8UXS
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BU of 8uxs by Molmil
KLHDC2 ubiquitin ligase in complex with a novel small-molecule
Descriptor: Kelch domain-containing protein 2, {4-[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetamido)methyl]-1H-1,2,3-triazol-1-yl}acetic acid
Authors:Rusnac, D.V, Zheng, N.
Deposit date:2023-11-10
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:KLHDC2 ubiquitin ligase in complex with a novel small-molecule
To Be Published
6DO5
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BU of 6do5 by Molmil
KLHDC2 ubiquitin ligase in complex with USP1 C-end degron
Descriptor: Kelch domain-containing protein 2, USP1 C-END DEGRON
Authors:Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N.
Deposit date:2018-06-08
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase.
Mol. Cell, 72, 2018
7ZE9
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BU of 7ze9 by Molmil
Structure of an AA16 LPMO-like protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ...
Authors:Huang, Z, Banerjee, S, Muderspach, S.J, Sun, P, van Berkel, W.J.H, Kabel, M.A, Lo Leggio, L.
Deposit date:2022-03-30
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:AA16 Oxidoreductases Boost Cellulose-Active AA9 Lytic Polysaccharide Monooxygenases from Myceliophthora thermophila.
Acs Catalysis, 13, 2023
4LN9
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BU of 4ln9 by Molmil
Crystal structure of the dehydratase domain from the terminal module of the rifamycin polyketide synthase
Descriptor: Rifamycin polyketide synthase
Authors:Gay, D.C, You, Y.-O, Cane, D, Keatinge-Clay, A.T.
Deposit date:2013-07-11
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure and stereospecificity of the dehydratase domain from the terminal module of the rifamycin polyketide synthase.
Biochemistry, 52, 2013
4JZX
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BU of 4jzx by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ...
Authors:Aripirala, S, Gabelli, S, Amzel, L.M.
Deposit date:2013-04-03
Release date:2014-03-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
4R5S
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BU of 4r5s by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
Descriptor: Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2014-08-22
Release date:2014-11-12
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-27
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-08-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N08
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BU of 4n08 by Molmil
Structure of Trypanosoma brucei brucei adenosine kinase (apo)
Descriptor: Adenosine kinase
Authors:Timm, J, Wilson, K.S.
Deposit date:2013-10-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of adenosine kinase from Trypanosoma brucei brucei.
Acta Crystallogr F Struct Biol Commun, 70, 2014

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