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3A71
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BU of 3a71 by Molmil
High resolution structure of Penicillium chrysogenum alpha-L-arabinanase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Exo-arabinanase
Authors:Sogabe, Y.
Deposit date:2009-09-11
Release date:2010-09-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:High-resolution structure of exo-arabinanase from Penicillium chrysogenum
Acta Crystallogr.,Sect.D, 67, 2011
7RJ7
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BU of 7rj7 by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND 2-(1-AMINO-3-METHYLBUTYL)-6- (PYRIDIN-4-YL)QUINOLINE-4-CARBONITRILE
Descriptor: 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile, AP2-associated protein kinase 1, SULFATE ION
Authors:Muckelbauer, J.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.124 Å)
Cite:Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
7DSZ
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BU of 7dsz by Molmil
Crystal structure of Amuc_1102 from Akkermansia muciniphila
Descriptor: Amuc_1102, CHLORIDE ION
Authors:Xiang, R, Wang, J, Wang, Y, Zhang, M, Wang, M.
Deposit date:2021-01-04
Release date:2021-02-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Amuc_1102 fromAkkermansia muciniphilaadopts animmunoglobulin-like fold related to archaeal type IV pilus
Biochem.Biophys.Res.Commun., 547, 2021
2P88
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BU of 2p88 by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein
Authors:Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
Deposit date:2007-03-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
7R4T
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BU of 7r4t by Molmil
In vitro assembled 266/297 - 391 tau filaments with NaHCO3 and NaCl (16a)
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W.
Deposit date:2022-02-09
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Assembly of recombinant tau into filaments identical to those of Alzheimer's disease and chronic traumatic encephalopathy.
Elife, 11, 2022
7BFZ
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BU of 7bfz by Molmil
X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490
Descriptor: (((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rakhimbekova, A, Motlova, L, Barinka, C.
Deposit date:2021-01-05
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging.
Nat Commun, 12, 2021
7B91
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BU of 7b91 by Molmil
Structure of a minimal SF3B core in complex with pladienolide D (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-13
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
5MHN
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BU of 5mhn by Molmil
FXIIIa in complex with the inhibitor ZED2360
Descriptor: CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:FXIIIa in complex with the inhibitor Mi0621
To Be Published
3A5T
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BU of 3a5t by Molmil
Crystal structure of MafG-DNA complex
Descriptor: 5'-D(*CP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*G)-3', MAGNESIUM ION, ...
Authors:Kurokawa, H, Motohashi, H, Sueno, S, Kimura, M, Takagawa, H, Kanno, Y, Yamamoto, M, Tanaka, T.
Deposit date:2009-08-11
Release date:2009-10-13
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Alternative DNA Recognition by Maf Transcription Factors
Mol.Cell.Biol., 29, 2009
3I6E
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BU of 3i6e by Molmil
CRYSTAL STRUCTURE OF MUCONATE LACTONIZING ENZYME FROM Ruegeria pomeroyi.
Descriptor: MAGNESIUM ION, Muconate cycloisomerase I, SODIUM ION
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-07-07
Release date:2009-07-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of muconate lactonizing enzyme from Ruegeria pomeroyi.
To be Published
7BCQ
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BU of 7bcq by Molmil
ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation.
Descriptor: 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0)
Authors:Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A.
Deposit date:2020-12-21
Release date:2021-09-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
3HHB
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BU of 3hhb by Molmil
THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS RESOLUTION
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PHOSPHATE ION, ...
Authors:Fermi, G, Perutz, M.F.
Deposit date:1984-03-07
Release date:1984-07-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The crystal structure of human deoxyhaemoglobin at 1.74 A resolution
J.Mol.Biol., 175, 1984
7BNK
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BU of 7bnk by Molmil
Crystal structure of ParB from Myxococcus xanthus bound to CDP and Monothiophosphate
Descriptor: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Altegoer, F, Bange, G.
Deposit date:2021-01-22
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
5MUG
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BU of 5mug by Molmil
Self-assembled alpha-Tocopherol Transfer Protein Nanoparticles Promote Vitamin E Delivery Across an Endothelial Barrier
Descriptor: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, Alpha-tocopherol transfer protein, CHLORIDE ION, ...
Authors:Stocker, A, Aeschimann, W.
Deposit date:2017-01-13
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Self-assembled alpha-Tocopherol Transfer Protein Nanoparticles Promote Vitamin E Delivery Across an Endothelial Barrier.
Sci Rep, 7, 2017
7BCT
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BU of 7bct by Molmil
ASCT2 in the presence of the inhibitor ERA-21 in the outward-open conformation.
Descriptor: Neutral amino acid transporter B(0)
Authors:Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A.
Deposit date:2020-12-21
Release date:2021-09-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R5F
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BU of 7r5f by Molmil
Crystal structure of YTHDF2 with compound YLI_DF_012
Descriptor: 5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, SULFATE ION, ...
Authors:Nai, F, Li, Y, Caflisch, A.
Deposit date:2022-02-10
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7BCS
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BU of 7bcs by Molmil
ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation.
Descriptor: (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0)
Authors:Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A.
Deposit date:2020-12-21
Release date:2021-09-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
5MUV
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BU of 5muv by Molmil
Atomic structure fitted into a localized reconstruction of bacteriophage phi6 packaging hexamer P4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Packaging enzyme P4
Authors:Sun, Z, El Omari, K, Sun, X, Ilca, S, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T.
Deposit date:2017-01-14
Release date:2017-03-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
7BOC
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BU of 7boc by Molmil
Crystal structure of the PRMT5 TIM barrel domain in complex with RioK1 peptide
Descriptor: Protein arginine N-methyltransferase 5, peptide
Authors:Krzyzanowski, A, t Hart, P, Waldmann, H, Gasper, R.
Deposit date:2021-01-25
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Biochemical Investigation of the Interaction of pICln, RioK1 and COPR5 with the PRMT5-MEP50 Complex.
Chembiochem, 22, 2021
7S22
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BU of 7s22 by Molmil
Crystal structure of alpha-COP-WD40 domain
Descriptor: Coatomer subunit alpha
Authors:Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S.
Deposit date:2021-09-02
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
3IZO
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BU of 3izo by Molmil
Model of the fiber tail and its interactions with the penton base of human adenovirus by cryo-electron microscopy
Descriptor: Fiber, Penton protein
Authors:Liu, H.
Deposit date:2010-11-05
Release date:2011-01-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Model of the Trimeric Fiber and Its Interactions with the Pentameric Penton Base of Human Adenovirus by Cryo-electron Microscopy.
J.Mol.Biol., 406, 2011
7R5L
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BU of 7r5l by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_015
Descriptor: 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one, SULFATE ION, YTH domain-containing family protein 2
Authors:Nachawati, R, Nai, F, Li, Y, Caflisch, A.
Deposit date:2022-02-10
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
3IZJ
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BU of 3izj by Molmil
Mm-cpn rls with ATP and AlFx
Descriptor: Chaperonin
Authors:Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
Deposit date:2010-10-29
Release date:2011-02-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
7S23
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BU of 7s23 by Molmil
Crystal structure of alpha-COP-WD40 domain, Y139A mutant
Descriptor: Coatomer subunit alpha
Authors:Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S.
Deposit date:2021-09-03
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
7CZQ
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BU of 7czq by Molmil
S protein of SARS-CoV-2 in complex bound with P2B-1A10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,Chain H of P2B-1A10,Immunoglobulin gamma-1 heavy chain, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021

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