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PDB: 22172 results

6WAQ
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BU of 6waq by Molmil
Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, nanobody SARS VHH-72
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-03-25
Release date:2020-04-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
8WIK
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BU of 8wik by Molmil
Crystal structure of human FSP1
Descriptor: 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Feng, S, Huang, X, Tang, D, Qi, S.
Deposit date:2023-09-24
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human ferroptosis suppressive protein 1 in complex with flavin adenine dinucleotide and nicotinamide adenine nucleotide.
MedComm (2020), 5, 2024
6HL1
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BU of 6hl1 by Molmil
Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA
Descriptor: Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ...
Authors:Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H.
Deposit date:2018-09-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Molecular tuning of farnesoid X receptor partial agonism.
Nat Commun, 10, 2019
6SNE
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BU of 6sne by Molmil
crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LN01 heavy chain, ...
Authors:Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W.
Deposit date:2019-08-23
Release date:2019-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
1ADV
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BU of 1adv by Molmil
EARLY E2A DNA-BINDING PROTEIN
Descriptor: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION
Authors:Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A.
Deposit date:1995-05-12
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein.
J.Mol.Biol., 257, 1996
6HBK
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BU of 6hbk by Molmil
Echovirus 18 Open particle without one pentamer
Descriptor: Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3
Authors:Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P.
Deposit date:2018-08-10
Release date:2019-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Enterovirus particles expel capsid pentamers to enable genome release.
Nat Commun, 10, 2019
6ZV9
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BU of 6zv9 by Molmil
Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W)
Descriptor: 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE
Authors:Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C.
Deposit date:2020-07-24
Release date:2020-11-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
1AAM
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BU of 1aam by Molmil
THE STRUCTURAL BASIS FOR THE ALTERED SUBSTRATE SPECIFICITY OF THE R292D ACTIVE SITE MUTANT OF ASPARTATE AMINOTRANSFERASE FROM E. COLI
Descriptor: ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Almo, S.C, Smith, D.L, Danishefsky, A.T, Ringe, D.
Deposit date:1993-07-13
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis for the altered substrate specificity of the R292D active site mutant of aspartate aminotransferase from E. coli.
Protein Eng., 7, 1994
4PL4
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BU of 4pl4 by Molmil
Crystal structure of murine IRE1 in complex with OICR464 inhibitor
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
1C7F
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BU of 1c7f by Molmil
D95E OXIDIZED FLAVODOXIN MUTANT FROM D. VULGARIS
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D.
Deposit date:2000-02-11
Release date:2000-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin
Biochemistry, 41, 2002
6XV9
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BU of 6xv9 by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6X8O
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BU of 6x8o by Molmil
BimBH3 peptide tetramer
Descriptor: Bcl-2-like protein 11, THIOCYANATE ION
Authors:Robin, A.Y, Westphal, D, Uson, I, Czabotar, P.E.
Deposit date:2020-06-01
Release date:2020-09-09
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Biophysical Characterization of Pro-apoptotic BimBH3 Peptides Reveals an Unexpected Capacity for Self-Association.
Structure, 29, 2021
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
Authors:Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
Deposit date:2018-09-22
Release date:2019-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
5MQ7
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BU of 5mq7 by Molmil
Structure of AaLS-13
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase
Authors:Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
6HBL
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BU of 6hbl by Molmil
Echovirus 18 Open particle without three pentamers
Descriptor: Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3
Authors:Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P.
Deposit date:2018-08-10
Release date:2019-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Enterovirus particles expel capsid pentamers to enable genome release.
Nat Commun, 10, 2019
7AAP
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BU of 7aap by Molmil
Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP
Descriptor: MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ...
Authors:Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J.
Deposit date:2020-09-04
Release date:2020-09-23
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.
Proc.Natl.Acad.Sci.USA, 118, 2021
7QCX
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BU of 7qcx by Molmil
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, apo form
Descriptor: Tyrosine-protein phosphatase non-receptor type 13
Authors:Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R.
Deposit date:2021-11-25
Release date:2022-09-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
7QCY
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BU of 7qcy by Molmil
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide
Descriptor: Tyrosine-protein phosphatase non-receptor type 13
Authors:Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R.
Deposit date:2021-11-25
Release date:2022-09-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
6XVJ
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BU of 6xvj by Molmil
Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-22
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6YIG
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BU of 6yig by Molmil
Crystal structure of the N-terminal EF-hand domain of Arabidopsis thaliana AtEH1/Pan1
Descriptor: CALCIUM ION, Calcium-binding EF hand family protein, SODIUM ION
Authors:Yperman, K, Merceron, R, De Munck, S, Bloch, Y, Savvides, S.N, Pleskot, R, Van Damme, D.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding.
Nat Commun, 12, 2021
1ADU
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BU of 1adu by Molmil
EARLY E2A DNA-BINDING PROTEIN
Descriptor: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION
Authors:Tucker, P.A, Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C.
Deposit date:1995-05-11
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein.
J.Mol.Biol., 257, 1996
1A3B
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BU of 1a3b by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), Hirudin, ...
Authors:Skordalakes, E, Elgendy, S, Dodson, G, Goodwin, C.A, Green, D, Scully, M.F, Freyssinet, J.H, Kakkar, V.V, Deadman, J.
Deposit date:1998-01-20
Release date:1998-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
5J37
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BU of 5j37 by Molmil
Crystal structure of 60-mer BFDV Capsid Protein in complex with single stranded DNA
Descriptor: Beak and feather disease virus capsid protein, PHOSPHATE ION, single stranded DNA
Authors:Sarker, S, Raidal, S, Aragao, D, Forwood, J.K.
Deposit date:2016-03-30
Release date:2016-05-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
6HLF
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BU of 6hlf by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant - K32A
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Nowotny, P, Schneider, S, Hekmat, D, Weuster-Botz, D.
Deposit date:2018-09-11
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rational Crystal Contact Engineering of Lactobacillus brevis Alcohol Dehydrogenase To Promote Technical Protein Crystallization
Cryst.Growth Des., 2019
6YRZ
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BU of 6yrz by Molmil
Crystal structure of FAP et pH 8.5 after illumination at 150K
Descriptor: CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, ...
Authors:Sorigue, D, Legrand, P, Blangy, S, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.824 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021

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