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6V37
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BU of 6v37 by Molmil
K2P2.1(TREK-1)I110D:RuR:ML335 bound channel structure
Descriptor: CADMIUM ION, DODECANE, HEXANE, ...
Authors:Pope, L, Lolicato, M, Minor, D.L.
Deposit date:2019-11-25
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
6V3I
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BU of 6v3i by Molmil
K2P2.1(TREK-1)I110D:RuR bound channel structure
Descriptor: CADMIUM ION, DODECANE, HEXANE, ...
Authors:Pope, L, Lolicato, M, Minor, D.L.
Deposit date:2019-11-25
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
5F3B
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BU of 5f3b by Molmil
Structure of myostatin in complex with chimeric RK35 antibody
Descriptor: GLYCEROL, Growth/differentiation factor 8, RK35 Chimeric antibody heavy chain, ...
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
6V8V
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BU of 6v8v by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-12
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V83
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BU of 6v83 by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-10
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6VG4
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BU of 6vg4 by Molmil
Human protocadherin 10 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2020-01-07
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
6VHA
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BU of 6vha by Molmil
Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
Descriptor: Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-09
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
2MLG
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BU of 2mlg by Molmil
Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx
Descriptor: Sulfolobus transcription factor 76 aminoacid protein, Stf76
Authors:Farina, B, Russo, L, Fattorusso, R.
Deposit date:2014-02-27
Release date:2014-03-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and functional studies of Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx: a novel peculiar member of the winged helix-turn-helix transcription factor family.
Nucleic Acids Res., 42, 2014
6VFT
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BU of 6vft by Molmil
Crystal structure of human delta protocadherin 17 EC1-EC4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2020-01-06
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
3OAG
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BU of 3oag by Molmil
Design and optimization of new piperidines as renin inhibitors
Descriptor: (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Prade, L.
Deposit date:2010-08-05
Release date:2010-11-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5LWL
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BU of 5lwl by Molmil
MaeR D54A mutant response regulator bound to sulfate
Descriptor: SULFATE ION, Transcriptional regulatory protein
Authors:Miguel-Romero, L, Casino, P, Landete, J.M, Monedero, V, Zuniga, M, Marina, A.
Deposit date:2016-09-18
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The malate sensing two-component system MaeKR is a non-canonical class of sensory complex for C4-dicarboxylates.
Sci Rep, 7, 2017
6UZ3
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BU of 6uz3 by Molmil
Cardiac sodium channel
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A.
Deposit date:2019-11-14
Release date:2020-01-01
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the Cardiac Sodium Channel.
Cell, 180, 2020
4I0X
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BU of 4i0x by Molmil
Crystal structure of the Mycobacterum abscessus EsxEF (Mab_3112-Mab_3113) complex
Descriptor: BETA-MERCAPTOETHANOL, ESAT-6-like protein MAB_3112, ESAT-6-like protein MAB_3113, ...
Authors:Arbing, M.A, Chan, S, Lu, J, Kuo, E, Harris, L, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-11-19
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions.
Plos One, 8, 2013
6VFP
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BU of 6vfp by Molmil
Crystal structure of human protocadherin 1 EC1-EC4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin-1, ...
Authors:Brasch, J, Harrison, O.J, Shapiro, L.
Deposit date:2020-01-06
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
6UYQ
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BU of 6uyq by Molmil
Crystal structure of K45-acetylated SUMO1 in complex with PML-SIM
Descriptor: Protein PML, Small ubiquitin-related modifier 1
Authors:Wahba, H.M, Gagnon, C, Mascle, X.H, Lussier-Price, M, Cappadocia, L, Sakaguchi, K, Omichinski, J.G.
Deposit date:2019-11-14
Release date:2019-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Acetylation of SUMO1 Alters Interactions with the SIMs of PML and Daxx in a Protein-Specific Manner.
Structure, 28, 2020
6VFU
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BU of 6vfu by Molmil
Crystal structure of human protocadherin 19 EC1-EC4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2020-01-06
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
6UYR
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BU of 6uyr by Molmil
Crystal structure of K46-acetylated SUMO1 in complex with PML-SIM
Descriptor: Protein PML, Small ubiquitin-related modifier 1
Authors:Wahba, H.M, Gagnon, C, Mascle, X.H, Lussier-Price, M, Cappadocia, L, Sakaguchi, K, Omichinski, J.G.
Deposit date:2019-11-14
Release date:2019-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Acetylation of SUMO1 Alters Interactions with the SIMs of PML and Daxx in a Protein-Specific Manner.
Structure, 28, 2020
6UYY
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BU of 6uyy by Molmil
Crystal structure of K39-acetylated SUMO1 in complex with phosphorylated DAXX
Descriptor: Small ubiquitin-related modifier 1, phosphorylated DAXX
Authors:Wahba, H.M, Gagnon, C, Mascle, X.H, Lussier-Price, M, Cappadocia, L, Sakaguchi, K, Omichinski, J.G.
Deposit date:2019-11-14
Release date:2019-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Acetylation of SUMO1 Alters Interactions with the SIMs of PML and Daxx in a Protein-Specific Manner.
Structure, 28, 2020
6V7Q
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BU of 6v7q by Molmil
Crystal structure of SUMO1 in complex with phosphorylated PIAS-SIM2
Descriptor: Protein PIAS, Small ubiquitin-related modifier 1
Authors:Lussier-Price, M, Wahba, H.M, Mascle, X.H, Cappadocia, L, Sakaguchi, K, Omichinski, J.G.
Deposit date:2019-12-09
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Characterization of a C-Terminal SUMO-Interacting Motif Present in Select PIAS-Family Proteins.
Structure, 28, 2020
7B4R
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BU of 7b4r by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
Descriptor: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
Authors:Maveyraud, L, Carivenc, C, Blanger, C, Mourey, L.
Deposit date:2020-12-02
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
7B4S
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BU of 7b4s by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and compound 153786 from the NCI Open Database
Descriptor: 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione, COENZYME A, MANGANESE (II) ION, ...
Authors:Maveyraud, L, Carivenc, C, Mourey, L.
Deposit date:2020-12-02
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
6UPW
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BU of 6upw by Molmil
Metavinculin ABD-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Mei, L, Alushin, G.M.
Deposit date:2019-10-18
Release date:2020-09-30
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for direct actin force-sensing by alpha-catenin.
Elife, 9, 2020
6SP1
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BU of 6sp1 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 6
Descriptor: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
Authors:Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
Deposit date:2019-08-30
Release date:2020-06-03
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6URO
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BU of 6uro by Molmil
Cryo-EM structure of human CPSF160-WDR33-CPSF30-PAS RNA-CstF77 complex
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, Cleavage stimulation factor subunit 3, ...
Authors:Sun, Y, Zhang, Y, Walz, T, Tong, L.
Deposit date:2019-10-23
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery.
Mol.Cell, 77, 2020
7WC5
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BU of 7wc5 by Molmil
Crystal structure of serotonin 2A receptor in complex with psilocin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ...
Authors:Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
Deposit date:2021-12-18
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022

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