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5W1I
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BU of 5w1i by Molmil
Crystal structure of LbaCas13a (C2c2) bound to mature crRNA (20-nt spacer)
Descriptor: IODIDE ION, LbaCas13a (C2c2), mature crRNA
Authors:Knott, G.J, Doudna, J.A.
Deposit date:2017-06-03
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Guide-bound structures of an RNA-targeting A-cleaving CRISPR-Cas13a enzyme.
Nat. Struct. Mol. Biol., 24, 2017
6T16
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BU of 6t16 by Molmil
ASR Alternansucrase in complex with panose
Descriptor: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ...
Authors:Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M.
Deposit date:2019-10-03
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
5VZP
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BU of 5vzp by Molmil
Sperm whale myoglobin H64Q with nitric oxide
Descriptor: GLYCEROL, Myoglobin, NITRIC OXIDE, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-05-29
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
5VZX
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BU of 5vzx by Molmil
Crystal structure of crenezumab Fab
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Crenezumab Fab heavy chain, ...
Authors:Ultsch, M, Wang, W.
Deposit date:2017-05-29
Release date:2017-08-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
4N1C
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BU of 4n1c by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Roome, B, Stock, D, Christ, D.
Deposit date:2013-10-03
Release date:2014-10-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W21
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BU of 5w21 by Molmil
Crystal Structure of a 1:1:1 FGF23-FGFR1c-aKlotho Ternary Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibroblast growth factor 23, Fibroblast growth factor receptor 1, ...
Authors:Mohammadi, M.
Deposit date:2017-06-05
Release date:2018-01-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:alpha-Klotho is a non-enzymatic molecular scaffold for FGF23 hormone signalling.
Nature, 553, 2018
5W2S
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BU of 5w2s by Molmil
Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
4N24
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BU of 4n24 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (100 uM Ca2+)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4MRU
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BU of 4mru by Molmil
Crystal structure of a susD homolog (BT1281) from Bacteroides thetaiotaomicron VPI-5482 at 1.90 A resolution
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, SusD homolog
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-09-17
Release date:2013-10-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a susD homolog (BT1281) from Bacteroides thetaiotaomicron VPI-5482 at 1.90 A resolution
To be published
4N2M
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BU of 4n2m by Molmil
Crystal structure of Protein Arginine Deiminase 2 (E354A, 0 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-05
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
5W6C
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BU of 5w6c by Molmil
UCA Fab (unbound) from 6649 Lineage
Descriptor: UCA Fab heavy chain, UCA Fab light chain
Authors:Raymond, D.D, Harrison, S.C.
Deposit date:2017-06-16
Release date:2017-12-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.634 Å)
Cite:Conserved epitope on influenza-virus hemagglutinin head defined by a vaccine-induced antibody.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5VXF
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BU of 5vxf by Molmil
Crystal structure of Xanthomonas campestris OleA E117Q
Descriptor: 3-oxoacyl-[ACP] synthase III, GLYCEROL
Authors:Jensen, M.R, Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
4N3A
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BU of 4n3a by Molmil
Crystal Structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (1-26)E10A
Descriptor: Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
Authors:Lazarus, M.B, Herr, W, Walker, S.
Deposit date:2013-10-06
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4N41
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BU of 4n41 by Molmil
Structure of Thermus thermophilus Argonaute bound to guide DNA and 15-mer target DNA
Descriptor: 5'-D(*AP*AP*CP*CP*TP*AP*CP*TP*GP*CP*CP*TP*CP*G)-3', 5'-D(P*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*T*GP*TP*AP*TP*AP*GP*T)-3', ...
Authors:Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
Deposit date:2013-10-08
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
5W0N
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BU of 5w0n by Molmil
Structure of human TUT7 catalytic module (CM) in complex with UMPNPP and U2 RNA
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, IODIDE ION, MAGNESIUM ION, ...
Authors:Faehnle, C.R, Walleshauser, J, Joshua-Tor, L.
Deposit date:2017-05-31
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Multi-domain utilization by TUT4 and TUT7 in control of let-7 biogenesis.
Nat. Struct. Mol. Biol., 24, 2017
5W18
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BU of 5w18 by Molmil
Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide
Descriptor: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
Authors:Lee, R.E, Griffith, E.C.
Deposit date:2017-06-02
Release date:2017-08-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
5W4L
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BU of 5w4l by Molmil
Crystal structure of the non-neutralizing and ADCC-potent C11-like antibody N12-i3 in complex with HIV-1 clade A/E gp120, the CD4 mimetic M48U1, and the antibody N5-i5.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody N12-i3 Fab heavy chain, Antibody N12-i3 light chain, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-06-12
Release date:2017-11-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Targeting the Late Stage of HIV-1 Entry for Antibody-Dependent Cellular Cytotoxicity: Structural Basis for Env Epitopes in the C11 Region.
Structure, 25, 2017
5W5W
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BU of 5w5w by Molmil
HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site
Descriptor: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, HIV-1 protease, ...
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2017-06-15
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
4N6F
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BU of 4n6f by Molmil
Crystal structure of Amycolatopsis orientalis BexX complexed with G6P
Descriptor: CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase
Authors:Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
Deposit date:2013-10-11
Release date:2014-05-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
4N71
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BU of 4n71 by Molmil
X-Ray Crystal Structure of 2-amino-1-hydroxyethylphosphonate-bound PhnZ
Descriptor: FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid
Authors:Woersdoerfer, B, Lingaraju, M, Yennawar, N, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.-E.
Deposit date:2013-10-14
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Proc.Natl.Acad.Sci.USA, 110, 2013
5W76
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BU of 5w76 by Molmil
Crystal Structure of Reconstructed Bacterial Elongation Factor Node 168
Descriptor: Ancestral Elogation Factor N153, DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ortlund, E.A.
Deposit date:2017-06-19
Release date:2018-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Structural and Dynamics Comparison of Thermostability in Ancient, Modern, and Consensus Elongation Factor Tus.
Structure, 26, 2018
5W7F
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BU of 5w7f by Molmil
Murine acyloxyacyl hydrolase (AOAH), S262A mutant, with lipid A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 3-HYDROXY-TETRADECANOIC ACID, ...
Authors:Gorelik, A, Illes, K, Nagar, B.
Deposit date:2017-06-19
Release date:2018-01-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the mammalian lipopolysaccharide detoxifier.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4MZZ
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BU of 4mzz by Molmil
Crystal structure of Bovine 3 Glu-Osteocalcin.
Descriptor: Osteocalcin
Authors:Malashkevich, V.N, Dowd, T.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-09-30
Release date:2013-11-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:X-ray crystal structure of bovine 3 Glu-osteocalcin.
Biochemistry, 52, 2013
5W37
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Crystal structure of mutant CJ YCEI protein (CJ-N182C) for nanotechnology applications
Descriptor: EICOSANE, Polyisoprenoid-binding protein, SULFATE ION
Authors:Huber, T.R, Snow, C.D.
Deposit date:2017-06-07
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
5W3R
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BU of 5w3r by Molmil
SH2B1 SH2 Domain
Descriptor: PHENOL, PHOSPHATE ION, SH2B adapter protein 1
Authors:McKercher, M.A, Wuttke, D.S.
Deposit date:2017-06-08
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.386 Å)
Cite:Diversity in peptide recognition by the SH2 domain of SH2B1.
Proteins, 86, 2018

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