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PDB: 53012 results

5EYO
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BU of 5eyo by Molmil
The crystal structure of the Max bHLH domain in complex with 5-carboxyl cytosine DNA
Descriptor: DNA (5'-D(*AP*GP*TP*AP*GP*CP*AP*(1CC)P*GP*TP*GP*CP*TP*AP*CP*T)-3'), Protein max
Authors:Wang, D, Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2015-11-25
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:MAX is an epigenetic sensor of 5-carboxylcytosine and is altered in multiple myeloma.
Nucleic Acids Res., 45, 2017
8KE5
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BU of 8ke5 by Molmil
PylRS C-terminus domain mutant bound with D-3-chlorophenylalanine and AMPNP
Descriptor: (2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2023-08-11
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.900073 Å)
Cite:Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
4Y0D
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BU of 4y0d by Molmil
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L.
Deposit date:2015-02-05
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
6RKD
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BU of 6rkd by Molmil
Molybdenum storage protein under turnover conditions
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MO(VI)(=O)(OH)2 CLUSTER, ...
Authors:Bruenle, S, Mills, D.J, Vonck, J, Ermler, U.
Deposit date:2019-04-30
Release date:2019-12-18
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
8KE1
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BU of 8ke1 by Molmil
PylRS C-terminus domain mutant bound with L-3-bromophenylalanine and AMPNP
Descriptor: 3-bromo-L-phenylalanine, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2023-08-11
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.50081539 Å)
Cite:Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
8KE6
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BU of 8ke6 by Molmil
PylRS C-terminus domain mutant bound with L-3-chlorophenylalanine and AMPNP
Descriptor: 3-CHLORO-L-PHENYLALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2023-08-11
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.89570856 Å)
Cite:Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
8KE4
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BU of 8ke4 by Molmil
PylRS C-terminus domain mutant bound with D-3-bromophenylalanine and AMPNP
Descriptor: (2R)-2-azanyl-3-(3-bromophenyl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2023-08-11
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75050962 Å)
Cite:Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
8EY9
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BU of 8ey9 by Molmil
Structure of Arabidopsis fatty acid amide hydrolase mutant S305A in complex with 9-hydroxy-10,12-octadecadienoyl-ethanolamide
Descriptor: (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide, Fatty acid amide hydrolase
Authors:Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D.
Deposit date:2022-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
6EU9
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BU of 6eu9 by Molmil
Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid
Descriptor: RETINOIC ACID, Retinoic acid receptor
Authors:Handberg-Thorsager, M, Gutierrez-Mazariegos, J, Arold, S.T, Nadendla, E.K, Bertucci, P.Y, Germain, P, Tomancak, P, Pierzchalski, K, Jones, J.W, Albalat, R, Kane, M.A, Bourguet, W, Laudet, V, Arendt, D, Schubert, M.
Deposit date:2017-10-29
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:The ancestral retinoic acid receptor was a low-affinity sensor triggering neuronal differentiation.
Sci Adv, 4, 2018
7AJT
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BU of 7ajt by Molmil
Cryo-EM structure of the 90S-exosome super-complex (state Pre-A1-exosome)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E.
Deposit date:2020-09-29
Release date:2020-12-30
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome.
Mol.Cell, 81, 2021
7S4O
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BU of 7s4o by Molmil
Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide
Descriptor: LEU-PRO-ALA-THR-SER-GLY, Sortase
Authors:Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F.
Deposit date:2021-09-09
Release date:2022-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.396 Å)
Cite:Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
7S51
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BU of 7s51 by Molmil
Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA peptide
Descriptor: LEU-PRO-ALA-THR-ALA, Sortase
Authors:Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F.
Deposit date:2021-09-09
Release date:2022-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
7NNU
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BU of 7nnu by Molmil
Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs
Descriptor: Conserved hypothetical membrane protein, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ...
Authors:Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2021-02-25
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Insights into the bilayer-mediated toppling mechanism of a folate-specific ECF transporter by cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
6EW6
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BU of 6ew6 by Molmil
Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand
Descriptor: B-cell lymphoma 6 protein, ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-11-03
Release date:2018-10-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
ACS Chem. Biol., 13, 2018
7NNT
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BU of 7nnt by Molmil
Cryo-EM structure of the folate-specific ECF transporter complex in DDM micelles
Descriptor: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ...
Authors:Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2021-02-25
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Insights into the bilayer-mediated toppling mechanism of a folate-specific ECF transporter by cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
6F16
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BU of 6f16 by Molmil
GLIC mutant H277Q
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-21
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
8C5I
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BU of 8c5i by Molmil
Cyanide dihydratase from Bacillus pumilus C1 variant - Q86R,H305K,H308K,H323K
Descriptor: Cyanide dihydratase
Authors:Mulelu, A.E, Reitz, J, van Rooyen, J, Scheffer, M, Frangakis, A.S, Dlamini, L.S, Woodward, J.D, Benedik, M.J, Sewell, B.T.
Deposit date:2023-01-09
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:The Role of Histidine Residues in the Oligomerization of Cyanide Dihydratase from Bacillus pumilus C1
To Be Published
8BZV
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BU of 8bzv by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with adenosine
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D.
Deposit date:2022-12-15
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
8T0B
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BU of 8t0b by Molmil
Novel Domain of Unknown Function Solved with AlphaFold
Descriptor: DUF1842 domain-containing protein
Authors:Miller, J.E, Cascio, D, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-05-31
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography.
Acta Crystallogr D Struct Biol, 80, 2024
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
8C7Z
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BU of 8c7z by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308
Descriptor: 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ...
Authors:Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
Deposit date:2023-01-18
Release date:2023-02-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308
To Be Published
6XB9
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BU of 6xb9 by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid
Descriptor: 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ...
Authors:Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S.
Deposit date:2020-06-05
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
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
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

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PDB entries from 2024-07-31

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