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3VZM
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BU of 3vzm by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) E172H mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose
Descriptor: Endo-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
Authors:Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
Deposit date:2012-10-15
Release date:2013-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3VZK
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BU of 3vzk by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35E mutant
Descriptor: Endo-1,4-beta-xylanase, SULFATE ION
Authors:Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
Deposit date:2012-10-14
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3VZO
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BU of 3vzo by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35H mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose
Descriptor: Endo-1,4-beta-xylanase, SULFATE ION, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
Authors:Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
Deposit date:2012-10-15
Release date:2013-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3UHI
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BU of 3uhi by Molmil
HBI (K96R) CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UHW
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BU of 3uhw by Molmil
HBI (N79A) deoxy
Descriptor: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UGZ
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BU of 3ugz by Molmil
HBI (L36A) CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UH7
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BU of 3uh7 by Molmil
HBI (T72G) CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UH3
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BU of 3uh3 by Molmil
HBI (L36V) CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UHB
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BU of 3uhb by Molmil
HBI (R104K) CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UHZ
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BU of 3uhz by Molmil
HBI (T72A) deoxy
Descriptor: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
5Y8R
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BU of 5y8r by Molmil
ZsYellow at pH 3.5
Descriptor: GFP-like fluorescent chromoprotein FP538
Authors:Bae, J.E, Kim, I.J, Nam, K.H.
Deposit date:2017-08-21
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Disruption of the hydrogen bonding network determines the pH-induced non-fluorescent state of the fluorescent protein ZsYellow by protonation of Glu221.
Biochem. Biophys. Res. Commun., 493, 2017
5Y8Q
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BU of 5y8q by Molmil
ZsYellow at pH 8.0
Descriptor: GFP-like fluorescent chromoprotein FP538
Authors:Bae, J.E, Kim, I.J, Nam, K.H.
Deposit date:2017-08-21
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Disruption of the hydrogen bonding network determines the pH-induced non-fluorescent state of the fluorescent protein ZsYellow by protonation of Glu221.
Biochem. Biophys. Res. Commun., 493, 2017
5Y4J
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BU of 5y4j by Molmil
Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode
Descriptor: MAGNESIUM ION, Xylitol, Xylose isomerase
Authors:Bae, J.E, Kim, I.J, Nam, K.H.
Deposit date:2017-08-03
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode
Biochem. Biophys. Res. Commun., 493, 2017
5Y4I
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BU of 5y4i by Molmil
Crystal structure of glucose isomerase in complex with glycerol in one metal binding mode
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Bae, J.E, Kim, I.J, Nam, K.H.
Deposit date:2017-08-03
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode
Biochem. Biophys. Res. Commun., 493, 2017
6ARK
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BU of 6ark by Molmil
Crystal Structure of compound 10 covalently bound to K-Ras G12C
Descriptor: (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide, GLYCEROL, GTPase KRas, ...
Authors:Nnadi, C.I, Jenkins, M.L, Gentile, D.R, Bateman, L.A, Zaidman, D, Balius, T.E, Nomura, D.K, Burke, J.E, Shokat, K.M, London, N.
Deposit date:2017-08-22
Release date:2018-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange.
J Chem Inf Model, 58, 2018
5Z6V
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BU of 5z6v by Molmil
Crystal structure of a substrate-binding protein from Rhodothermus marinus
Descriptor: ABC-type uncharacterized transport system periplasmic component-like protein
Authors:Bae, J.E, Kim, I.J, Nam, K.H.
Deposit date:2018-01-25
Release date:2018-05-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of a substrate-binding protein from Rhodothermus marinus reveals a single alpha / beta-domain.
Biochem. Biophys. Res. Commun., 497, 2018
6BB4
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BU of 6bb4 by Molmil
Fab/epitope complex of mouse monoclonal antibody C5.2 targeting a phospho-tau epitope.
Descriptor: Microtubule-associated protein tau, Mouse monoclonal antibody C5.2 Fab heavy chain, Mouse monoclonal antibody C5.2 Fab light chain, ...
Authors:Chukwu, J.E, Kong, X.-P.
Deposit date:2017-10-16
Release date:2018-05-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Tau Antibody Structure Reveals a Molecular Switch Defining a Pathological Conformation of the Tau Protein.
Sci Rep, 8, 2018
6APX
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BU of 6apx by Molmil
Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1
Descriptor: GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ...
Authors:Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S.
Deposit date:2017-08-18
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Crystal structure of the human dual specificity phosphatase 1 catalytic domain.
Protein Sci., 27, 2018
6B3X
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BU of 6b3x by Molmil
Crystal structure of CstF-50 in complex with CstF-77
Descriptor: Cleavage stimulation factor subunit 1, Cleavage stimulation factor subunit 3
Authors:Yang, W, Hsu, P, Yang, F, Song, J.E, Varani, G.
Deposit date:2017-09-25
Release date:2017-11-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reconstitution of the CstF complex unveils a regulatory role for CstF-50 in recognition of 3'-end processing signals.
Nucleic Acids Res., 46, 2018
6BN8
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BU of 6bn8 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET55 PROTAC.
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.990035 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
2XGA
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BU of 2xga by Molmil
MTSL spin-labelled Shigella Flexneri Spa15
Descriptor: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, SURFACE PRESENTATION OF ANTIGENS PROTEIN SPAK
Authors:Lillington, J.E.D, Johnson, S, Lea, S.M.
Deposit date:2010-06-02
Release date:2010-12-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Shigella Flexneri Spa15 Crystal Structure Verified in Solution by Double Electron Electron Resonance.
J.Mol.Biol., 405, 2011
3DA2
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BU of 3da2 by Molmil
X-ray structure of human carbonic anhydrase 13 in complex with inhibitor
Descriptor: CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ...
Authors:Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-05-28
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray structure of human carbonic anhydrase 13 in complex with inhibitor.
To be Published
7PP7
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BU of 7pp7 by Molmil
Thunberia alata 16:0-ACP desaturase
Descriptor: Acyl-[acyl-carrier-protein] 6-desaturase, FE (III) ION
Authors:Guy, J.E, Whittle, E, Cai, Y, Chai, J, Lindqvist, Y, Shanklin, J.
Deposit date:2021-09-13
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Regioselectivity mechanism of the Thunbergia alata Delta 6-16:0-acyl carrier protein desaturase.
Plant Physiol., 188, 2022
3DS9
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BU of 3ds9 by Molmil
A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
Descriptor: Botulinum neurotoxin type A, NICKEL (II) ION, ZINC ION, ...
Authors:Zuniga, J.E, Fenn, T.
Deposit date:2008-07-11
Release date:2008-09-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16, 2008
3DDX
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BU of 3ddx by Molmil
HK97 bacteriophage capsid Expansion Intermediate-II model
Descriptor: Major capsid protein
Authors:Lee, K.K, Gan, L, Conway, J.F, Hendrix, R.W, Steven, A.C, Johnson, J.E.
Deposit date:2008-06-06
Release date:2008-11-04
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (14 Å)
Cite:Virus capsid expansion driven by the capture of mobile surface loops.
Structure, 16, 2008

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