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1T7X
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BU of 1t7x by Molmil
Zn-alpha-2-glycoprotein; refolded CHO-ZAG PEG 400
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein
Authors:Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J.
Deposit date:2004-05-11
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
2YOF
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BU of 2yof by Molmil
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor
Descriptor: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, THYMIDYLATE KINASE, ...
Authors:Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
Deposit date:2012-10-24
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
7JSO
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BU of 7jso by Molmil
P. syringae AldA Indole-3-Acetaldehyde Dehydrogenase C302A mutant in complex with NAD+ and IAA
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1H-INDOL-3-YLACETIC ACID, Aldehyde dehydrogenase family protein
Authors:Jez, J.M.
Deposit date:2020-08-15
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.848 Å)
Cite:Investigating the reaction and substrate preference of indole-3-acetaldehyde dehydrogenase from the plant pathogen Pseudomonas syringae PtoDC3000.
Biosci.Rep., 40, 2020
7JVD
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BU of 7jvd by Molmil
Fab of 5.6 monoclonal mouse IgG1 co-crystallized with the trisaccharide form of serotype 3 pneumococcal capsular polysaccharide
Descriptor: 5.6 Fab heavy chain, 5.6 Fab light chain, beta-D-glucopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose
Authors:Ozdilek, A, Huang, J, Paschall, A.V, Babb, R, Middleton, D.R, Duke, J.A, Pirofski, L, Mousa, J.J, Avci, F.Y.
Deposit date:2020-08-20
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Structural Model for the Ligand Binding of Pneumococcal Serotype 3 Capsular Polysaccharide-Specific Protective Antibodies.
Mbio, 12, 2021
2YNC
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BU of 2ync by Molmil
Plasmodium vivax N-myristoyltransferase in complex with YnC12-CoA thioester.
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W.
Deposit date:2012-10-13
Release date:2014-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach.
Nat.Chem., 6, 2014
3AV2
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BU of 3av2 by Molmil
The human nucleosome structure containing the histone variant H3.3
Descriptor: 146-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Tachiwana, H, Osakabe, A, Shiga, T, Miya, M, Kimura, H, Kagawa, W, Kurumizaka, H.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of human nucleosomes containing major histone H3 variants
Acta Crystallogr.,Sect.D, 67, 2011
1TUK
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BU of 1tuk by Molmil
Crystal structure of liganded type 2 non specific lipid transfer protein from wheat
Descriptor: 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)], IODIDE ION, Nonspecific lipid-transfer protein 2G
Authors:Hoh, F, Pons, J.L, Gautier, M.F, De Lamotte, F, Dumas, C.
Deposit date:2004-06-25
Release date:2005-04-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure of a liganded type 2 non-specific lipid-transfer protein from wheat and the molecular basis of lipid binding.
Acta Crystallogr.,Sect.D, 61, 2005
3AV1
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BU of 3av1 by Molmil
The human nucleosome structure containing the histone variant H3.2
Descriptor: 146-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Tachiwana, H, Osakabe, A, Shiga, T, Miya, Y, Kimura, H, Kagawa, W, Kurumizaka, H.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of human nucleosomes containing major histone H3 variants
Acta Crystallogr.,Sect.D, 67, 2011
2ZEC
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BU of 2zec by Molmil
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
Descriptor: 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2
Authors:Spurlino, J.C, Lewandowski, F, Milligan, C.
Deposit date:2007-12-08
Release date:2008-12-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.059 Å)
Cite:Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
1T7W
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BU of 1t7w by Molmil
Zn-alpha-2-glycoprotein; CHO-ZAG PEG 400
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein
Authors:Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J.
Deposit date:2004-05-11
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
3B0T
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BU of 3b0t by Molmil
Human VDR ligand binding domain in complex with maxacalcitol
Descriptor: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
Authors:Hishiki, A, Hashimoto, H, Sato, M, Shimizu, T.
Deposit date:2011-06-14
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human VDR ligand binding domain in complex with maxacalcitol
To be Published
3BIA
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BU of 3bia by Molmil
Tim-4 in complex with sodium potassium tartrate
Descriptor: L(+)-TARTARIC ACID, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4
Authors:Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M.
Deposit date:2007-11-30
Release date:2008-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds.
Immunity, 27, 2007
1T7Y
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BU of 1t7y by Molmil
Zn-alpha-2-glycoprotein; baculo-ZAG PEG 200, no glycerol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein
Authors:Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J.
Deposit date:2004-05-11
Release date:2004-12-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
2ZA5
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BU of 2za5 by Molmil
Crystal Structure of human tryptase with potent non-peptide inhibitor
Descriptor: (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2
Authors:Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C.
Deposit date:2007-10-02
Release date:2008-02-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
2ZMF
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BU of 2zmf by Molmil
Crystal structure of the C-terminal GAF domain of human phosphodiesterase 10A
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Handa, N, Kishishita, S, Mizohata, E, Omori, K, Kotera, J, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-04-17
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the GAF-B Domain from Human Phosphodiesterase 10A Complexed with Its Ligand, cAMP
J.Biol.Chem., 283, 2008
3B0R
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BU of 3b0r by Molmil
Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
Authors:Tomioka, D, Hashimoto, H, Sato, M, Shimizu, T.
Deposit date:2011-06-13
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form
To be published
7LVK
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BU of 7lvk by Molmil
Cfr-modified 50S subunit from Escherichia coli
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Stojkovic, V, Myasnikov, A.G, Frost, A, Fujimori, D.G.
Deposit date:2021-02-25
Release date:2021-12-15
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Investigating antibiotic resistance of a ribosomal-RNA methylating enzyme through directed evolution
To Be Published
3BIO
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BU of 3bio by Molmil
Crystal structure of oxidoreductase (Gfo/Idh/MocA family member) from Porphyromonas gingivalis W83
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, GLYCEROL, ...
Authors:Nocek, B, Mulligan, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-11-30
Release date:2007-12-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of oxidoreductase (Gfo/Idh/MocA family member) from Porphyromonas gingivalis W83.
To be Published
3B8B
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BU of 3b8b by Molmil
Crystal structure of CysQ from Bacteroides thetaiotaomicron, a bacterial member of the inositol monophosphatase family
Descriptor: CHLORIDE ION, CysQ, sulfite synthesis pathway protein, ...
Authors:Cuff, M.E, Mulligan, R, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-10-31
Release date:2007-12-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of CysQ from Bacteroides thetaiotaomicron, a bacterial member of the inositol monophosphatase family.
TO BE PUBLISHED
1SPW
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BU of 1spw by Molmil
Solution Structure of a Loop Truncated Mutant from D. gigas Rubredoxin, NMR
Descriptor: Rubredoxin
Authors:Pais, T.M, Lamosa, P, dos Santos, W, LeGall, J, Turner, D.L, Santos, H.
Deposit date:2004-03-17
Release date:2005-03-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural determinants of protein stabilization by solutes: the importance of the hairpin loop in rubredoxins
FEBS J., 272, 2005
3BI9
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BU of 3bi9 by Molmil
Tim-4
Descriptor: ACETATE ION, T-cell immunoglobulin and mucin domain-containing protein 4
Authors:Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M.
Deposit date:2007-11-30
Release date:2008-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds.
Immunity, 27, 2007
3BIB
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BU of 3bib by Molmil
Tim-4 in complex with phosphatidylserine
Descriptor: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4
Authors:Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M.
Deposit date:2007-11-30
Release date:2008-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds.
Immunity, 27, 2007
2YOG
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BU of 2yog by Molmil
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor
Descriptor: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE
Authors:Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
Deposit date:2012-10-24
Release date:2013-07-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
1T7Z
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BU of 1t7z by Molmil
Zn-alpha-2-glycoprotein; baculo-ZAG no PEG, no glycerol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein
Authors:Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J.
Deposit date:2004-05-11
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
3AFA
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BU of 3afa by Molmil
The human nucleosome structure
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Tachiwana, H, Kagawa, W, Osakabe, A, Koichiro, K, Shiga, T, Kimura, H, Kurumizaka, H.
Deposit date:2010-02-24
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of instability of the nucleosome containing a testis-specific histone variant, human H3T
Proc.Natl.Acad.Sci.USA, 107, 2010

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