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7NHI
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BU of 7nhi by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ004
Descriptor: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-10
Release date:2021-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
1R20
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BU of 1r20 by Molmil
Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI06830
Descriptor: ECDYSONE RECEPTOR, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE, ...
Authors:Billas, I.M.L, Iwema, T, Garnier, J.M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2003-09-25
Release date:2003-11-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor.
Nature, 426, 2003
7NH4
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BU of 7nh4 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
1R64
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BU of 1r64 by Molmil
The 2.2 A crystal structure of Kex2 protease in complex with Ac-Arg-Glu-Lys-boroArg peptidyl boronic acid inhibitor
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Holyoak, T, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D.
Deposit date:2003-10-14
Release date:2004-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Differences in Substrate Selectivity in Kex2 and Furin Protein Convertases
Biochemistry, 43, 2004
7NH5
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BU of 7nh5 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
2REI
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BU of 2rei by Molmil
Kinase domain of human ephrin type-A receptor 7 (Epha7)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Ephrin type-A receptor 7
Authors:Walker, J.R, Cuerrier, D, Butler-Cole, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-09-26
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Kinase Domain of Human Ephrin Type-A Receptor 7 (Epha7).
To be Published
7NG7
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BU of 7ng7 by Molmil
Src kinase bound to eCF506 trapped in inactive conformation
Descriptor: 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate
Authors:Lietha, D, Unciti-Broceta, A.
Deposit date:2021-02-08
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability.
Cancer Res., 81, 2021
2RAR
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BU of 2rar by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, oxido(dioxo)vanadium
Authors:Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2007-09-17
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7MZ5
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BU of 7mz5 by Molmil
Cryo-EM structure of RTX-bound full-length TRPV1 in C2 state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7MZ6
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BU of 7mz6 by Molmil
Cryo-EM structure of minimal TRPV1 with 1 perturbed PI
Descriptor: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
2RAV
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BU of 2rav by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, trioxido(oxo)tungsten
Authors:Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2007-09-17
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1R7A
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BU of 1r7a by Molmil
Sucrose Phosphorylase from Bifidobacterium adolescentis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, sucrose phosphorylase
Authors:Sprogoe, D, van den Broek, L.A.M, Mirza, O, Kastrup, J.S, Voragen, A.G.J, Gajhede, M, Skov, L.K.
Deposit date:2003-10-21
Release date:2004-02-10
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of sucrose phosphorylase from Bifidobacterium adolescentis.
Biochemistry, 43, 2004
1OAR
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BU of 1oar by Molmil
Fv IgE SPE-7 in complex with Alizarin Red
Descriptor: 1,2-ETHANEDIOL, ALIZARIN RED, CACODYLATE ION, ...
Authors:James, L.C, Roversi, P, Tawfik, D.
Deposit date:2003-01-21
Release date:2004-01-15
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Antibody Multispecificity Mediated by Conformational Diversity
Science, 299, 2003
7MZ9
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BU of 7mz9 by Molmil
Cryo-EM structure of minimal TRPV1 with 1 partially bound RTX
Descriptor: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
2R6G
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BU of 2r6g by Molmil
The Crystal Structure of the E. coli Maltose Transporter
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Maltose transport system permease protein malF, Maltose transport system permease protein malG, ...
Authors:Oldham, M.L, Khare, D, Quiocho, F.A, Davidson, A.L, Chen, J.
Deposit date:2007-09-05
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a catalytic intermediate of the maltose transporter.
Nature, 450, 2007
7MZB
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BU of 7mzb by Molmil
Cryo-EM structure of minimal TRPV1 with 3 bound RTX and 1 perturbed PI
Descriptor: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7MZC
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BU of 7mzc by Molmil
Cryo-EM structure of minimal TRPV1 with RTX bound in C1 state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
1OAZ
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BU of 1oaz by Molmil
IgE Fv SPE7 complexed with a recombinant thioredoxin
Descriptor: IMMUNOGLOBULIN E, THIOREDOXIN 1
Authors:James, L.C, Roversi, P, Tawfik, D.
Deposit date:2003-01-21
Release date:2004-01-15
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Antibody Multispecificity Mediated by Conformational Diversity
Science, 299, 2003
7MZE
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BU of 7mze by Molmil
Cryo-EM structure of minimal TRPV1 with 2 bound RTX in opposite pockets
Descriptor: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7MZA
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BU of 7mza by Molmil
Cryo-EM structure of minimal TRPV1 with 2 bound RTX in adjacent pockets
Descriptor: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7NKZ
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BU of 7nkz by Molmil
Cryo-EM structure of the cytochrome bd oxidase from M. tuberculosis at 2.5 A resolution
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, HEME B/C, MENAQUINONE-9, ...
Authors:Safarian, S, Wu, D, Krause, K.L, Michel, H.
Deposit date:2021-02-19
Release date:2021-09-22
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB.
Nat Commun, 12, 2021
7MZ7
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BU of 7mz7 by Molmil
Cryo-EM structure of minimal TRPV1 with 4 partially bound RTX
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7MZD
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BU of 7mzd by Molmil
Cryo-EM structure of minimal TRPV1 with RTX bound in C2 state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
2REY
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BU of 2rey by Molmil
Crystal structure of the PDZ domain of human dishevelled 2 (homologous to Drosophila dsh)
Descriptor: Segment polarity protein dishevelled homolog DVL-2
Authors:Papagrigoriou, E, Gileadi, C, Elkins, J, Cooper, C, Ugochukwu, E, Turnbull, A, Pike, A.C.W, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-09-27
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the PDZ domains of human dishevelled 2 (homologous to Drosophila dsh).
To be Published
2RF3
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BU of 2rf3 by Molmil
Crystal Structure of Tricyclo-DNA: An Unusual Compensatory Change of Two Adjacent Backbone Torsion Angles
Descriptor: 5'-d(CGCG(TCY)ATTCGCG)-3', SPERMINE, ZINC ION
Authors:Pallan, P.S, Ittig, D, Heroux, A, Wawrzak, Z, Leumann, C.J, Egli, M.
Deposit date:2007-09-27
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of tricyclo-DNA: an unusual compensatory change of two adjacent backbone torsion angles.
Chem.Commun.(Camb.), 2008, 2008

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