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4PJN
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BU of 4pjn by Molmil
Myosin VI motor domain in the Pi release state, space group P212121 - shortly soaked with PO4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
Deposit date:2014-05-12
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
4PJL
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BU of 4pjl by Molmil
Myosin VI motor domain A458E mutant in the Pi release state, space group P212121 -
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
Deposit date:2014-05-12
Release date:2015-04-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
6IAR
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BU of 6iar by Molmil
Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists
Descriptor: 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor
Authors:Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R.
Deposit date:2018-11-27
Release date:2019-01-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists.
J.Med.Chem., 62, 2019
2GJF
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BU of 2gjf by Molmil
NMR structure of the computationally designed procarboxypeptidase-A (1AYE) domain
Descriptor: DESIGNED PROTEIN
Authors:Reichow, S.
Deposit date:2006-03-30
Release date:2007-01-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-resolution structural and thermodynamic analysis of extreme stabilization of human procarboxypeptidase by computational protein design.
J.Mol.Biol., 366, 2007
9GDM
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BU of 9gdm by Molmil
Solution structure of a silver ion mediated DNA duplex with universal 7-deazapurine substitutions
Descriptor: ODNI-Ag, SILVER ION
Authors:Javornik, U, Plavec, J, Galindo, M.A.
Deposit date:2024-08-06
Release date:2024-09-18
Method:SOLUTION NMR
Cite:Unveiling the solution structure of a DNA duplex with continuous silver-modified Watson-Crick base pairs.
Nat Commun, 15, 2024
6GA0
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BU of 6ga0 by Molmil
Crystal structure of a thermophilic O6-alkylguanine-DNA alkyltransferase-derived self-labeling protein-tag in covalent complex with SNAP-Vista Green
Descriptor: 5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid, Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION
Authors:Miggiano, R, Rossi, F, Rizzi, M.
Deposit date:2018-04-11
Release date:2018-05-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a thermophilic O6-alkylguanine-DNA alkyltransferase-derived self-labeling protein-tag in covalent complex with a fluorescent probe.
Biochem. Biophys. Res. Commun., 500, 2018
6H0I
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BU of 6h0i by Molmil
Solution structure of Melampsora larici-populina MlpP4.1
Descriptor: Secreted protein
Authors:Tsan, P, Petre, B, Hecker, A, Rouhier, N, Duplessis, S.
Deposit date:2018-07-09
Release date:2018-08-22
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds.
Sci Rep, 9, 2019
5F3H
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BU of 5f3h by Molmil
Structure of myostatin in complex with humanized RK35 antibody
Descriptor: Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
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
4LLV
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BU of 4llv by Molmil
The structure of the unbound form of anti-HIV antibody 4E10 Fv
Descriptor: 4E10 Fv heavy chain, 4E10 Fv light chain, GLYCEROL, ...
Authors:Finton, K.A.K, Rupert, P.B, Strong, R.K.
Deposit date:2013-07-09
Release date:2013-10-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Autoreactivity and Exceptional CDR Plasticity (but Not Unusual Polyspecificity) Hinder Elicitation of the Anti-HIV Antibody 4E10.
Plos Pathog., 9, 2013
5UJE
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BU of 5uje by Molmil
SbnI with C-terminal truncation from Staphylococcus aureus
Descriptor: GLYCEROL, SbnI protein
Authors:Murphy, M.E.P, Verstraete, M.M.
Deposit date:2017-01-17
Release date:2018-01-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SbnI is a free serine kinase that generates O -phospho-l-serine for staphyloferrin B biosynthesis in Staphylococcus aureus .
J.Biol.Chem., 293, 2018
7NJC
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BU of 7njc by Molmil
Crystal structure of the Toxoplasma CPSF4 YTH-domain in complex with a 7 mer m6A-modified RNA
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, N-methyladenosine, RNA (5'-R(*(6MZ)P*CP*A)-3'), ...
Authors:Swale, C, Bowler, M.W.
Deposit date:2021-02-16
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7NH2
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BU of 7nh2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain bound to m6A
Descriptor: TETRAETHYLENE GLYCOL, Zinc finger (CCCH type) motif-containing protein, ~{N},9-dimethylpurin-6-amine
Authors:Swale, C, Bowler, M.W.
Deposit date:2021-02-09
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7NG2
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BU of 7ng2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain in apo form
Descriptor: ISOPROPYL ALCOHOL, Zinc finger (CCCH type) motif-containing protein
Authors:Swale, C, Bowler, M.W.
Deposit date:2021-02-08
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
8Q0N
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BU of 8q0n by Molmil
HACE1 in complex with RAC1 Q61L
Descriptor: E3 ubiquitin-protein ligase HACE1, GUANOSINE-5'-TRIPHOSPHATE, Ras-related C3 botulinum toxin substrate 1, ...
Authors:Wolter, M, Duering, J, Dienemann, C, Lorenz, S.
Deposit date:2023-07-28
Release date:2024-01-10
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1.
Nat.Struct.Mol.Biol., 31, 2024
8PWL
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BU of 8pwl by Molmil
Cryo-EM structure of a full-length HACE1 dimer
Descriptor: E3 ubiquitin-protein ligase HACE1
Authors:Duering, J, Wolter, M, Dienemann, C, Lorenz, S.
Deposit date:2023-07-20
Release date:2024-01-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.73 Å)
Cite:Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1.
Nat.Struct.Mol.Biol., 31, 2024
7NB1
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BU of 7nb1 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide, Choline kinase alpha
Authors:Casale, E, Fasolini, M.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
7NB2
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BU of 7nb2 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide, Choline kinase alpha, ...
Authors:Casale, E, Fasolini, M.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
7NB3
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BU of 7nb3 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide, Choline kinase alpha, ...
Authors:Casale, E, Fasolini, M.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
8RUS
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BU of 8rus by Molmil
Hen egg-white lysozyme (HEWL) structure from EuXFEL FXE, multi-hit Droplet-on-Demand (DoD) injection, 9.3 keV photon energy, space group P432121
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Perrett, S, van Thor, J.J.
Deposit date:2024-01-31
Release date:2024-07-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Kilohertz droplet-on-demand serial femtosecond crystallography at the European XFEL station FXE.
Struct Dyn., 11, 2024
1MNX
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BU of 1mnx by Molmil
The Solution Structure of the Loop E Region of the 5S rRNA from Spinach Chloroplasts.
Descriptor: Loop E from 5S rRNA
Authors:Vallurupalli, P, Moore, P.B.
Deposit date:2002-09-06
Release date:2003-01-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structure of the Loop E Region of the 5S rRNA from Spinach Chloroplasts
J.Mol.Biol., 325, 2003
7ZUN
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BU of 7zun by Molmil
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound
Descriptor: (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1
Authors:Casale, E.
Deposit date:2022-05-12
Release date:2022-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids.
Chirality, 34, 2022
6UIB
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BU of 6uib by Molmil
Crystal structure of IL23 bound to peptide 23-652
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Durbin, J.D, Wang, J, Afshar, S.
Deposit date:2019-09-30
Release date:2020-07-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.
Plos One, 15, 2020
6SGO
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BU of 6sgo by Molmil
NMR structure of MLP124017
Descriptor: Secreted protein
Authors:Barthe, P, de Guillen, K, Padilla, A, Hecker, A.
Deposit date:2019-08-05
Release date:2019-12-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds.
Sci Rep, 9, 2019
6SRN
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BU of 6srn by Molmil
Structural basis for control of antibiotic production by bacterial hormones
Descriptor: 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid, GLYCEROL, TetR family transcriptional regulator
Authors:Fulop, V.
Deposit date:2019-09-05
Release date:2020-09-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021

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