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5MEL
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BU of 5mel by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol
Descriptor: (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-11-15
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
1EWA
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BU of 1ewa by Molmil
Dehaloperoxidase and 4-iodophenol
Descriptor: 4-IODOPHENOL, DEHALOPEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:LaCount, M.W, Zhang, E, Chen, Y.P, Han, K, Whitton, M.M, Lincoln, D.E, Woodin, S.A, Lebioda, L.
Deposit date:2000-04-24
Release date:2000-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure and amino acid sequence of dehaloperoxidase from Amphitrite ornata indicate common ancestry with globins
J.Biol.Chem., 275, 2000
4C35
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BU of 4c35 by Molmil
PKA-S6K1 Chimera with compound 1 (NU1085) bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
1N9X
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BU of 1n9x by Molmil
structure of microgravity-grown oxidized myoglobin mutant YQR (ISS8A)
Descriptor: HYDROXIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Miele, A.E, Sciara, G, Federici, L, Draghi, F, Brunori, M, Vallone, B.
Deposit date:2002-11-26
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Analysis of the effect of microgravity on protein crystal quality: the case of a myoglobin triple mutant.
Acta Crystallogr.,Sect.D, 59, 2003
8B9F
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BU of 8b9f by Molmil
Structure of Echovirus 11 complexed with DAF (CD55) calculated from symmetry expansion
Descriptor: Complement decay-accelerating factor, Genome polyprotein, SPHINGOSINE
Authors:Stuart, D.I, Ren, J, Qin, L, Zhou, D.
Deposit date:2022-10-05
Release date:2022-12-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Switching of Receptor Binding Poses between Closely Related Enteroviruses.
Viruses, 14, 2022
1ET1
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BU of 1et1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PARATHYROID HORMONE 1-34 AT 0.9 A RESOLUTION
Descriptor: PARATHYROID HORMONE, SODIUM ION
Authors:Jin, L, Briggs, S.L, Chandrasekhar, S, Chirgadze, N.Y, Clawson, D.K, Schevitz, R.W, Smiley, D.L, Tashjian, A.H, Zhang, F.
Deposit date:2000-04-12
Release date:2000-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution.
J.Biol.Chem., 275, 2000
1NDF
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BU of 1ndf by Molmil
Carnitine Acetyltransferase in Complex with Carnitine
Descriptor: CARNITINE, Carnitine Acetyltransferase
Authors:Jogl, G, Tong, L.
Deposit date:2002-12-09
Release date:2003-01-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Carnitine Acetyltransferase and Implications for the Catalytic Mechanism and Fatty Acid Transport
Cell(Cambridge,Mass.), 112, 2003
1EVG
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BU of 1evg by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI WITH UNMODIFIED CATALYTIC CYSTEINE
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
5YPB
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BU of 5ypb by Molmil
p62/SQSTM1 ZZ domain with His-peptide
Descriptor: 78 kDa glucose-regulated protein,Sequestosome-1, ZINC ION
Authors:Kwon, D.H, Kim, L, Song, H.K.
Deposit date:2017-11-01
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into degradation mechanism of N-end rule substrates by p62/SQSTM1 autophagy adapter.
Nat Commun, 9, 2018
8B8R
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BU of 8b8r by Molmil
Complex of Echovirus 11 with its attaching receptor decay-accelerating factor (CD55)
Descriptor: DECAY ACCELERATING FACTOR (CD55), SPHINGOSINE, VP1, ...
Authors:Stuart, D.I, Ren, J, Zhou, D, Qin, L.
Deposit date:2022-10-04
Release date:2022-12-07
Last modified:2023-01-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Switching of Receptor Binding Poses between Closely Related Enteroviruses.
Viruses, 14, 2022
5MMQ
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BU of 5mmq by Molmil
ABA RECEPTOR FROM CITRUS, CSPYL1
Descriptor: CSPYL1
Authors:Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L.
Deposit date:2016-12-12
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
5YPH
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BU of 5yph by Molmil
p62/SQSTM1 ZZ domain with Ile-peptide
Descriptor: 78 kDa glucose-regulated protein,Sequestosome-1, ZINC ION
Authors:Kwon, D.H, Kim, L, Song, H.K.
Deposit date:2017-11-01
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:Insights into degradation mechanism of N-end rule substrates by p62/SQSTM1 autophagy adapter.
Nat Commun, 9, 2018
5MN0
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BU of 5mn0 by Molmil
ABA RECEPTOR FROM CITRUS, CSPYL1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CHLORIDE ION, CSPYL1, ...
Authors:Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A.
Deposit date:2016-12-12
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
5MGY
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BU of 5mgy by Molmil
Crystal structure of Pseudomonas stutzeri flavinyl transferase ApbE, apo form
Descriptor: FAD:protein FMN transferase, MAGNESIUM ION
Authors:Zhang, L, Trncik, C, Andrade, S.L.A, Einsle, O.
Deposit date:2016-11-22
Release date:2016-12-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The flavinyl transferase ApbE of Pseudomonas stutzeri matures the NosR protein required for nitrous oxide reduction.
Biochim. Biophys. Acta, 1858, 2016
5Y65
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BU of 5y65 by Molmil
Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Phosphoglycerate mutase 1, ...
Authors:Jiang, L.L, Zhou, L.
Deposit date:2017-08-10
Release date:2018-12-05
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
To Be Published
8V7R
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BU of 8v7r by Molmil
PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132
Descriptor: (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-12-04
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132
To Be Published
3TGI
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BU of 3tgi by Molmil
WILD-TYPE RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
Authors:Pasternak, A, Ringe, D, Hedstrom, L.
Deposit date:1998-07-15
Release date:1998-12-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparison of Anionic and Cationic Trypsinogens: The Anionic Activation Domain is More Flexible in Solution and Differs in its Mode of Bpti Binding in the Crystal Structure
Protein Sci., 8, 1999
8V7U
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BU of 8v7u by Molmil
PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
Descriptor: 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ...
Authors:Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-12-04
Release date:2023-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
To Be Published
1NJU
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BU of 1nju by Molmil
Complex structure of HCMV Protease and a peptidomimetic inhibitor
Descriptor: Assemblin, N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide
Authors:Khayat, R, Batra, R, Qian, C, Halmos, T, Bailey, M, Tong, L.
Deposit date:2003-01-02
Release date:2003-02-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Biochemical Studies of Inhibitor Binding to Human Cytomegalovirus Protease
Biochemistry, 42, 2003
3T41
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BU of 3t41 by Molmil
1.95 Angstrom Resolution Crystal Structure of Epidermin Leader Peptide Processing Serine Protease (EpiP) S393A Mutant from Staphylococcus aureus
Descriptor: CALCIUM ION, CHLORIDE ION, Epidermin leader peptide processing serine protease EpiP
Authors:Minasov, G, Kuhn, M, Ruan, J, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-07-25
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:1.95 Angstrom Resolution Crystal Structure of Epidermin Leader Peptide Processing Serine Protease (EpiP) S393A Mutant from Staphylococcus aureus.
TO BE PUBLISHED
3SOJ
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BU of 3soj by Molmil
Francisella tularensis pilin PilE
Descriptor: PilE, SULFATE ION
Authors:Wood, T, Arvai, A.S, Shin, D.S, Hartung, S, Kolappan, S, Craig, L, Tainer, J.A.
Deposit date:2011-06-30
Release date:2011-11-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ultrahigh Resolution and Full-length Pilin Structures with Insights for Filament Assembly, Pathogenic Functions, and Vaccine Potential.
J.Biol.Chem., 286, 2011
3SOV
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BU of 3sov by Molmil
The structure of a beta propeller domain in complex with peptide S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low-density lipoprotein receptor-related protein 6, ...
Authors:Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
5YT6
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BU of 5yt6 by Molmil
Crystal structure of TAX1BP1 UBZ2 in complex with mono-ubiquitin
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Pan, L, Hu, S.
Deposit date:2017-11-17
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Mechanistic Insights into Recognitions of Ubiquitin and Myosin VI by Autophagy Receptor TAX1BP1.
J. Mol. Biol., 430, 2018
4BTG
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BU of 4btg by Molmil
Coordinates of the bacteriophage phi6 capsid subunits (P1A and P1B) fitted into the cryoEM reconstruction of the procapsid at 4.4 A resolution
Descriptor: MAJOR INNER PROTEIN P1
Authors:Nemecek, D, Boura, E, Wu, W, Cheng, N, Plevka, P, Qiao, J, Mindich, L, Heymann, J.B, Hurley, J.H, Steven, A.C.
Deposit date:2013-06-17
Release date:2013-08-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Subunit Folds and Maturation Pathway of a Dsrna Virus Capsid.
Structure, 21, 2013
8BW4
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BU of 8bw4 by Molmil
PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: (2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2022-12-06
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
To Be Published

226707

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