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PDB: 42289 results

8R1I
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Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
Descriptor: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Kotschy, J, Gasper, R, Linser, R.
Deposit date:2023-11-02
Release date:2023-12-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein.
Angew.Chem.Int.Ed.Engl., 63, 2024
8B6T
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X-ray structure of the interface optimized haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG5-TMR) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate
Descriptor: CHLORIDE ION, Green fluorescent protein,Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
8B6R
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BU of 8b6r by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane Cyanine3 fluorophore substrate
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
4NCV
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BU of 4ncv by Molmil
Foldon domain wild type N-conjugate
Descriptor: Fibritin
Authors:Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J.
Deposit date:2013-10-25
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer.
Org.Biomol.Chem., 12, 2014
6WNV
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BU of 6wnv by Molmil
70S ribosome without free 5S rRNA and with a perturbed PTC
Descriptor: 16S ribosomal RNA, 23s-5s joint ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Korostelev, A.A, Mankin, A.S, Huang, S, Aleksashin, N.A, Klepacki, D, Reier, K, Kefi, A, Szal, A, Remme, J, Jaeger, L, Vazquez-Laslop, N.
Deposit date:2020-04-23
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Ribosome engineering reveals the importance of 5S rRNA autonomy for ribosome assembly.
Nat Commun, 11, 2020
3KVO
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BU of 3kvo by Molmil
Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
Descriptor: Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
To be Published
8QYQ
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BU of 8qyq by Molmil
Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten
Descriptor: 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A.
Deposit date:2023-10-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
8QYP
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BU of 8qyp by Molmil
Beta-cardiac myosin motor domain in the pre-powerstroke state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ...
Authors:Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A.
Deposit date:2023-10-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.759 Å)
Cite:Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
8QYU
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BU of 8qyu by Molmil
Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A.
Deposit date:2023-10-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
8QYR
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BU of 8qyr by Molmil
Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten
Descriptor: 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A.
Deposit date:2023-10-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
5WZ2
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BU of 5wz2 by Molmil
Crystal structure of Zika virus NS5 methyltransferase bound to SAM and RNA analogue (m7GpppA)
Descriptor: NS5 MTase, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, S-ADENOSYLMETHIONINE
Authors:Duan, W, Song, H, Qi, J, Shi, Y, Gao, G.F.
Deposit date:2017-01-16
Release date:2017-03-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of Zika virus NS5 reveals conserved drug targets.
EMBO J., 36, 2017
8R8A
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BU of 8r8a by Molmil
Structure of the N-terminal domain of CMA in complex with N-acetyllactosamine
Descriptor: CADMIUM ION, Nigrin b-like, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Lundstrom, J, Varrot, A.
Deposit date:2023-11-28
Release date:2023-12-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.317 Å)
Cite:Elucidating the glycan-binding specificity and structure of Cucumis melo agglutinin, a new R-type lectin.
Beilstein J Org Chem, 20, 2024
6Q8K
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BU of 6q8k by Molmil
CLK1 with bound pyridoquinazoline
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
Authors:Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-14
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
6Q8X
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BU of 6q8x by Molmil
Respiratory complex I from Thermus thermophilus with bound Pyridaben.
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A.
Deposit date:2018-12-16
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.508 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
8R4E
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BU of 8r4e by Molmil
Hybrid-1R G-quadruplex with a +(lpp) loop progression
Descriptor: DNA (27-MER)
Authors:Jana, J, Vianney, Y.M, Weisz, K.
Deposit date:2023-11-13
Release date:2023-12-27
Last modified:2024-01-31
Method:SOLUTION NMR
Cite:Impact of loop length and duplex extensions on the design of hybrid-type G-quadruplexes.
Chem.Commun.(Camb.), 60, 2024
2NY0
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BU of 2ny0 by Molmil
HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, T257S, V275C, S334A, S375W, A433M) Complexed with CD4 and Antibody 17b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
8R4W
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BU of 8r4w by Molmil
(3+1) hybrid-2 G-quadruplex with a -(llp) loop progression
Descriptor: DNA (25-MER)
Authors:Jana, J, Vianney, Y.M, Weisz, K.
Deposit date:2023-11-14
Release date:2023-12-27
Last modified:2024-01-31
Method:SOLUTION NMR
Cite:Impact of loop length and duplex extensions on the design of hybrid-type G-quadruplexes.
Chem.Commun.(Camb.), 60, 2024
6QBC
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BU of 6qbc by Molmil
structure of anti-Mcl1 Fab
Descriptor: Anti-Mcl1 Fab Heavy Chain, Anti-Mcl1 Fab Light Chain
Authors:Luptak, J.
Deposit date:2018-12-20
Release date:2019-11-06
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
5ZAZ
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BU of 5zaz by Molmil
Solution structure of integrin b2 monomer tranmembrane domain in bicelle
Descriptor: Integrin beta-2
Authors:Li, H, Guo, J, Xu, C.
Deposit date:2018-02-09
Release date:2018-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intramembrane ionic protein-lipid interaction regulates integrin structure and function.
PLoS Biol., 16, 2018
6Q7L
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BU of 6q7l by Molmil
Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ...
Authors:Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M.
Deposit date:2018-12-13
Release date:2020-02-12
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex.
Commun Biol, 3, 2020
8RI0
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BU of 8ri0 by Molmil
Crystal structure of Tm1570 domain from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
Descriptor: S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Kluza, A, Lewandowska, I, Sulkowska, J.
Deposit date:2023-12-18
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published
To Be Published
2O1Z
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BU of 2o1z by Molmil
Plasmodium vivax Ribonucleotide Reductase Subunit R2 (Pv086155)
Descriptor: FE (III) ION, Ribonucleotide Reductase Subunit R2, UNKNOWN ATOM OR ION
Authors:Dong, A, Tempel, W, Qiu, W, Lew, J, Wernimont, A.K, Lin, Y.H, Hassanali, A, Melone, M, Zhao, Y, Nordlund, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2006-11-29
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Plasmodium vivax Ribonucleotide Reductase Subunit R2 (Pv086155)
To be Published
6WZZ
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BU of 6wzz by Molmil
GID4 in complex with VGLWKS peptide
Descriptor: Glucose-induced degradation protein 4 homolog, UNKNOWN ATOM OR ION, VGLWKS peptide
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-05-14
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of nonproline N-terminal residues by the Pro/N-degron pathway.
Proc.Natl.Acad.Sci.USA, 117, 2020
2NZJ
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BU of 2nzj by Molmil
The crystal structure of REM1 in complex with GDP
Descriptor: CHLORIDE ION, GTP-binding protein REM 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Elkins, J.M, Soundararajan, M, Yang, X, Gorrec, F, Umeano, C, Salah, E, Burgess, N, Johansson, C, Berridge, G, Gileadi, O, Bray, J, Marsden, B, Watts, S, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-11-23
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of REM1 in complex with GDP
To be Published
6X0R
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BU of 6x0r by Molmil
A Circular Permutant of the Tobacco Mosaic Virus (TMV) mutant Q101H
Descriptor: Capsid protein Circular Permutant
Authors:Dai, J, Knott, G.J, Francis, M.B.
Deposit date:2020-05-17
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein-Embedded Metalloporphyrin Arrays Templated by Circularly Permuted Tobacco Mosaic Virus Coat Proteins.
Acs Nano, 15, 2021

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數據於2024-07-17公開中

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