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7S4G
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BU of 7s4g by Molmil
Fab fragment bound to the Cter peptide of Ly6G6D
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ...
Authors:Rouge, L, Lupardus, P.
Deposit date:2021-09-08
Release date:2022-04-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2015-10-16
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
4P3Q
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BU of 4p3q by Molmil
Room-temperature WT DHFR, time-averaged ensemble
Descriptor: CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ...
Authors:Keedy, D.A, van den Bedem, H, Fraser, J.S.
Deposit date:2014-03-10
Release date:2014-05-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
8GYK
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BU of 8gyk by Molmil
CryoEM structure of the RAD51_ADP filament
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 1, MAGNESIUM ION
Authors:Miki, Y, Luo, S.C, Ho, M.C.
Deposit date:2022-09-22
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:A RAD51-ADP double filament structure unveils the mechanism of filament dynamics in homologous recombination.
Nat Commun, 14, 2023
3ZFI
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BU of 3zfi by Molmil
Rap1a protein (SMA2260) from Serratia marcescens
Descriptor: RAP1A PROTEIN
Authors:Srikannathasan, V, O'Rourke, P.E.F, Rao, V.A, English, G, Coulthurst, S.J, Hunter, W.N.
Deposit date:2012-12-11
Release date:2013-06-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens
Acta Crystallogr.,Sect.D, 69, 2013
3ZEV
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BU of 3zev by Molmil
Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
Descriptor: GLYCINE, NEUROTENSIN, NEUROTENSIN RECEPTOR 1 TM86V
Authors:Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A.
Deposit date:2012-12-07
Release date:2014-01-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
5CC9
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BU of 5cc9 by Molmil
L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oyen, D, Wright, P.E.
Deposit date:2015-07-01
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
5DNR
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BU of 5dnr by Molmil
Aurora A Kinase in complex with ATP in space group P41212
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
Deposit date:2015-09-10
Release date:2016-07-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5E9Z
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BU of 5e9z by Molmil
Cytochrome P450 BM3 mutant M11
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ...
Authors:Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P.
Deposit date:2015-10-15
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.
Proteins, 84, 2016
5VNB
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BU of 5vnb by Molmil
YEATS in complex with histone H3
Descriptor: 1,2-ETHANEDIOL, H3K23acK27ac peptide, SULFATE ION, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2017-04-29
Release date:2018-09-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode.
ACS Chem. Biol., 13, 2018
8GUJ
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BU of 8guj by Molmil
Bre1-nucleosome complex (Model II)
Descriptor: DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Onishi, S, Sato, K, Hamada, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
Deposit date:2022-09-12
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
5DR6
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BU of 5dr6 by Molmil
Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122
Descriptor: 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-15
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.534 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
4AHU
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BU of 4ahu by Molmil
Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification
Descriptor: 1,2-ETHANEDIOL, 1H-INDOLE-3-CARBOXYLIC ACID, ACETIC ACID, ...
Authors:Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J.
Deposit date:2012-02-07
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
5W58
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BU of 5w58 by Molmil
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
Descriptor: (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J.
Deposit date:2017-06-14
Release date:2018-01-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
8GUI
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BU of 8gui by Molmil
Bre1-nucleosome complex (Model I)
Descriptor: DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Onishi, S, Hamada, K, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
Deposit date:2022-09-12
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
8GUK
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BU of 8guk by Molmil
Human nucleosome core particle (free form)
Descriptor: DNA (147-mer), Histone H2A type 1, Histone H2B type 1-J, ...
Authors:Onishi, S, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
Deposit date:2022-09-12
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
5C8V
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BU of 5c8v by Molmil
Lucilia cuprina alpha esterase 7: Gly137Asp
Descriptor: Carboxylic ester hydrolase
Authors:Correy, G.J, Mabbitt, P.D, Jackson, C.J.
Deposit date:2015-06-26
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Conformational Disorganization within the Active Site of a Recently Evolved Organophosphate Hydrolase Limits Its Catalytic Efficiency.
Biochemistry, 55, 2016
7S8H
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BU of 7s8h by Molmil
Structure of Lassa virus glycoprotein bound to Fab 18.5C and Fab 36.1F
Descriptor: 18.5C Fab Heavy Chain, 18.5C Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hastie, K.M, Enriquez, A.S.
Deposit date:2021-09-17
Release date:2022-06-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Delineating the mechanism of anti-Lassa virus GPC-A neutralizing antibodies.
Cell Rep, 39, 2022
7S8G
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BU of 7s8g by Molmil
Structure of anti-LASV Fab 25.10C with FNQI mutation
Descriptor: 25.10C-FNQI Fab Heavy Chain, 25.10C-FNQI Fab Light Chain
Authors:Hastie, K.M, Enriquez, A.S.
Deposit date:2021-09-17
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Delineating the mechanism of anti-Lassa virus GPC-A neutralizing antibodies.
Cell Rep, 39, 2022
5W66
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BU of 5w66 by Molmil
RNA polymerase I Initial Transcribing Complex State 3
Descriptor: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ...
Authors:Han, Y, He, Y.
Deposit date:2017-06-16
Release date:2017-07-26
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural mechanism of ATP-independent transcription initiation by RNA polymerase I.
Elife, 6, 2017
1MO7
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BU of 1mo7 by Molmil
ATPase
Descriptor: Sodium/Potassium-transporting ATPase alpha-1 chain
Authors:Hilge, M, Siegal, G, Vuister, G.W, Guentert, P, Gloor, S.M, Abrahams, J.P.
Deposit date:2002-09-08
Release date:2003-06-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:ATP-induced conformational changes of the nucleotide-binding domain of Na,K-ATPase
Nat.Struct.Biol., 10, 2003
3TEX
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BU of 3tex by Molmil
Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to 1.7-A resolution
Descriptor: CALCIUM ION, Protective antigen
Authors:Feld, G.K, Krantz, B.A.
Deposit date:2011-08-15
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
J.Mol.Biol., 415, 2012
8EKB
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BU of 8ekb by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, deacylated P-site tRNAmet, and thermorubin at 2.70A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Paranjpe, M.N, Polikanov, Y.S.
Deposit date:2022-09-20
Release date:2022-12-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into the molecular mechanism of translation inhibition by the ribosome-targeting antibiotic thermorubin.
Nucleic Acids Res., 51, 2023
4AHT
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BU of 4aht by Molmil
Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification
Descriptor: 1,2-ETHANEDIOL, 1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ...
Authors:Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J.
Deposit date:2012-02-07
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
5VY5
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BU of 5vy5 by Molmil
Rabbit muscle aldolase using 200keV
Descriptor: Fructose-bisphosphate aldolase A
Authors:Herzik Jr, M.A, Wu, M, Lander, G.C.
Deposit date:2017-05-24
Release date:2017-06-14
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Achieving better-than-3- angstrom resolution by single-particle cryo-EM at 200 keV.
Nat. Methods, 14, 2017

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数据于2024-11-13公开中

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