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6VQZ
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BU of 6vqz by Molmil
HLA-B*27:05 presenting an HIV-1 6mer peptide
Descriptor: 6-mer peptide, ARGININE, Beta-2-microglobulin, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-06
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VPZ
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BU of 6vpz by Molmil
HLA-B*27:05 presenting an HIV-1 11mer peptide
Descriptor: 11-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-04
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6W10
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BU of 6w10 by Molmil
Structure of mouse TREX1 with E198K disease-associated mutation
Descriptor: Three-prime repair exonuclease 1
Authors:Zhou, W, Mohr, L, Maciejowski, J, Kranzusch, P.J.
Deposit date:2020-03-03
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.80003381 Å)
Cite:cGAS phase separation inhibits TREX1-mediated DNA degradation and enhances cytosolic DNA sensing.
Mol.Cell, 81, 2021
6TKV
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BU of 6tkv by Molmil
Crystal structure of the human FUT8 in complex with GDP and a biantennary complex N-glycan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ...
Authors:Garcia-Garcia, A, Ceballos-Laita, L, Serna, L, Artschwager, R, Reichardt, N.C, Corzana, F, Hurtado-Guerrero, R.
Deposit date:2019-11-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for substrate specificity and catalysis of alpha 1,6-fucosyltransferase.
Nat Commun, 11, 2020
6W92
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BU of 6w92 by Molmil
Human UHRF1 TTD domain
Descriptor: E3 ubiquitin-protein ligase UHRF1
Authors:Campbell, J.C, Chang, L, Sankaran, B, Young, D.W.
Deposit date:2020-03-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Sci Rep, 11, 2021
3N9N
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BU of 3n9n by Molmil
ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG
Descriptor: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
2NCL
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BU of 2ncl by Molmil
Solution structure of BOLA3 from Homo sapiens
Descriptor: BolA-like protein 3
Authors:Ciofi-Baffoni, S, Nasta, V, Banci, L.
Deposit date:2016-04-11
Release date:2016-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins.
Elife, 5, 2016
3N9L
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BU of 3n9l by Molmil
ceKDM7A from C.elegans, complex with H3K4me3 peptide and NOG
Descriptor: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
6WJM
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BU of 6wjm by Molmil
The crystal structure beta-lactamase from Desulfarculus baarsii DSM 2075
Descriptor: ALANINE, Beta-lactamase, CITRIC ACID
Authors:Chang, C, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:The crystal structure beta-lactamase from Desulfarculus baarsii DSM 2075
To Be Published
6WJT
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BU of 6wjt by Molmil
2.0 Angstrom Resolution Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with S-Adenosyl-L-Homocysteine
Descriptor: 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
6WM4
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BU of 6wm4 by Molmil
Human V-ATPase in state 3 with SidK and ADP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Renin receptor, ...
Authors:Wang, L, Wu, H, Fu, T.M.
Deposit date:2020-04-20
Release date:2020-11-11
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
6WE1
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BU of 6we1 by Molmil
Wheat dwarf virus Rep domain complexed with a single-stranded DNA 8-mer comprising the cleavage site
Descriptor: DNA (5'-D(*AP*AP*TP*AP*TP*TP*AP*C)-3'), MANGANESE (II) ION, Replication-associated protein
Authors:Tompkins, K, Litzau, L.A, Pornschloegl, L, Nelson, A.T, Evans III, R.L, Gordon, W.R.
Deposit date:2020-04-01
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.612 Å)
Cite:Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering.
Nucleic Acids Res., 49, 2021
6WC5
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BU of 6wc5 by Molmil
Crystal Structure of a Ternary MEF2B/NKX2-5/myocardin enhancer DNA Complex
Descriptor: Homeobox protein Nkx-2.5, Myocardin enhancer DNA, Myocyte-specific enhancer factor 2B
Authors:Chen, L, Lei, X.
Deposit date:2020-03-29
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface.
J.Mol.Biol., 432, 2020
4J4T
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BU of 4j4t by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
7AGQ
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BU of 7agq by Molmil
Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis
Descriptor: ACETATE ION, GLYCEROL, Mycocerosic acid synthase
Authors:Brison, Y, Mourey, L, Maveyraud, L.
Deposit date:2020-09-23
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases.
Acs Chem.Biol., 15, 2020
6WN2
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BU of 6wn2 by Molmil
Tyrosyl t-RNA Synthetase Mutant from E.coli Complexed with sulfotyrosine
Descriptor: O-SULFO-L-TYROSINE, SODIUM ION, SULFATE ION, ...
Authors:Beltran, D.G, Zhang, L.
Deposit date:2020-04-22
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Functional genetic encoding of sulfotyrosine in mammalian cells.
Nat Commun, 11, 2020
6WLW
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BU of 6wlw by Molmil
The Vo region of human V-ATPase in state 1 (focused refinement)
Descriptor: (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, L, Wu, H, Fu, T.-M.
Deposit date:2020-04-20
Release date:2020-11-11
Last modified:2020-11-25
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
6WM6
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BU of 6wm6 by Molmil
Periplasmic EDTA-binding protein EppA, tetragonal
Descriptor: 1,2-ETHANEDIOL, Extracellular solute-binding protein, family 5, ...
Authors:Lewis, K.M, Sattler, S.A, Greene, C.L, Xun, L, Kang, C.
Deposit date:2020-04-20
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The Structural Basis of the Binding of Various Aminopolycarboxylates by the Periplasmic EDTA-Binding Protein EppA from Chelativorans sp. BNC1.
Int J Mol Sci, 21, 2020
6WUK
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BU of 6wuk by Molmil
Crystal structure of mouse DXO in complex with CoA
Descriptor: COENZYME A, Decapping and exoribonuclease protein
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2020-05-04
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:DXO/Rai1 enzymes remove 5'-end FAD and dephospho-CoA caps on RNAs.
Nucleic Acids Res., 48, 2020
6WN5
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BU of 6wn5 by Molmil
1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator HdfR from Klebsiella pneumoniae
Descriptor: CHLORIDE ION, Transcriptional regulator HdfR
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-22
Release date:2020-05-06
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6WN8
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BU of 6wn8 by Molmil
2.70 Angstrom Resolution Crystal Structure of Uracil Phosphoribosyl Transferase from Klebsiella pneumoniae
Descriptor: CHLORIDE ION, SULFATE ION, Uracil phosphoribosyltransferase, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-22
Release date:2020-05-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
7B6W
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BU of 7b6w by Molmil
Crystal structure of the human alpha1B adrenergic receptor in complex with inverse agonist (+)-cyclazosin
Descriptor: Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor, [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone
Authors:Deluigi, M, Morstein, L, Hilge, M, Schuster, M, Merklinger, L, Klipp, A, Scott, D.J, Plueckthun, A.
Deposit date:2020-12-08
Release date:2022-01-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.873 Å)
Cite:Crystal structure of the alpha 1B -adrenergic receptor reveals molecular determinants of selective ligand recognition.
Nat Commun, 13, 2022
3KA7
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BU of 3ka7 by Molmil
Crystal Structure of an oxidoreductase from Methanosarcina mazei. Northeast Structural Genomics Consortium target id MaR208
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase
Authors:Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-18
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of an oxidoreductase from Methanosarcina mazei
To be Published
6VIH
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BU of 6vih by Molmil
The ligand-free structure of mouse RABL3
Descriptor: Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W1Q
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BU of 6w1q by Molmil
RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020

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