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4IC9
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BU of 4ic9 by Molmil
Crystal structure of the full-length matrix subunit (p15) of the Feline Immunodeficiency Virus (FIV) Gag polyprotein
Descriptor: 1,2-ETHANEDIOL, Matrix protein p15
Authors:Serriere, J, Robert, X, Perez, M, Gouet, P, Guillon, C.
Deposit date:2012-12-10
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biophysical characterization and crystal structure of the Feline Immunodeficiency Virus p15 matrix protein.
Retrovirology, 10, 2013
4ICA
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BU of 4ica by Molmil
Crystal structure of a C-terminal truncated form of the matrix subunit (p15) of Feline Immunodeficiency Virus (FIV)
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Matrix protein p15
Authors:Serriere, J, Robert, X, Perez, M, Gouet, P, Guillon, C.
Deposit date:2012-12-10
Release date:2013-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biophysical characterization and crystal structure of the Feline Immunodeficiency Virus p15 matrix protein.
Retrovirology, 10, 2013
3PQY
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BU of 3pqy by Molmil
Crystal Structure of 6218 TCR in complex with the H2Db-PA224
Descriptor: 10-mer peptide from RNA-directed RNA polymerase, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Gras, S, Guillonneau, C, Turner, S.J, Rossjohn, J.
Deposit date:2010-11-28
Release date:2011-05-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.192 Å)
Cite:Structural basis for enabling T-cell receptor diversity within biased virus-specific CD8+ T-cell responses
Proc.Natl.Acad.Sci.USA, 108, 2011
5G2E
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BU of 5g2e by Molmil
Structure of the Nap1 H2A H2B complex
Descriptor: HISTONE H2A TYPE 1, HISTONE H2B 1.1, NUCLEOSOME ASSEMBLY PROTEIN
Authors:AguilarGurrieri, C, Larabi, A, Vinayachandran, V, Patel, N.A, Yen, K, Reja, R, Ebong, I.O, Schoehn, G, Robinson, C.V, Pugh, B.F, Panne, D.
Deposit date:2016-04-07
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (6.7 Å)
Cite:Structural Evidence for Nap1-Dependent H2A-H2B Deposition and Nucleosome Assembly.
Embo J., 35, 2016
4K7I
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BU of 4k7i by Molmil
HUMAN PEROXIREDOXIN 5 with a fragment
Descriptor: CATECHOL, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ...
Authors:Guichou, J.F.
Deposit date:2013-04-17
Release date:2014-04-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
4MMM
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BU of 4mmm by Molmil
Human Pdrx5 complex with a ligand BP7
Descriptor: 1,1'-BIPHENYL-3,4-DIOL, Peroxiredoxin-5, mitochondrial
Authors:Guichou, J.F.
Deposit date:2013-09-09
Release date:2014-07-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
4K7N
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BU of 4k7n by Molmil
HUMAN PEROXIREDOXIN 5 with a fragment
Descriptor: 4-METHYLCATECHOL, Peroxiredoxin-5, mitochondrial
Authors:Guichou, J.F.
Deposit date:2013-04-17
Release date:2014-04-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
4K7O
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BU of 4k7o by Molmil
HUMAN PEROXIREDOXIN 5 with a fragment
Descriptor: 4-tert-butylbenzene-1,2-diol, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ...
Authors:Guichou, J.F.
Deposit date:2013-04-17
Release date:2014-04-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
2G50
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BU of 2g50 by Molmil
The location of the allosteric amino acid binding site of muscle pyruvate kinase.
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALANINE, ...
Authors:Holyoak, T, Williams, R, Fenton, A.W.
Deposit date:2006-02-22
Release date:2006-05-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Differentiating a Ligand's Chemical Requirements for Allosteric Interactions from Those for Protein Binding. Phenylalanine Inhibition of Pyruvate Kinase.
Biochemistry, 45, 2006
6CLW
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BU of 6clw by Molmil
Crystal structure of TnmH
Descriptor: O-methyltransferase
Authors:Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B.
Deposit date:2018-03-02
Release date:2019-03-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
6CLX
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BU of 6clx by Molmil
Crystal structure of TnmH in complex with SAM
Descriptor: O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B.
Deposit date:2018-03-02
Release date:2019-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
1W75
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BU of 1w75 by Molmil
Native Orthorhombic form of Torpedo californica acetylcholinesterase (AChE)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
Authors:Greenblatt, H.M, Botti, S, Argaman, A, Silman, I, Sussman, J.L.
Deposit date:2004-08-29
Release date:2004-11-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
6QYF
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BU of 6qyf by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 4.6 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6QYG
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BU of 6qyg by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
Authors:Gajewski, S.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
Authors:Gajewski, S.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
2MP9
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BU of 2mp9 by Molmil
Solution structure of an potent antifungal peptide Cm-p5 derived from C. muricatus
Descriptor: Antifungal peptide
Authors:Sun, Z.J, Heffron, G, Mcbeth, C, Wagner, G, Otero-Gonzales, A.J, Starnbach, M.N.
Deposit date:2014-05-14
Release date:2015-08-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cm-p5: an antifungal hydrophilic peptide derived from the coastal mollusk Cenchritis muricatus (Gastropoda: Littorinidae).
Faseb J., 29, 2015
3I6M
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BU of 3i6m by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine
Descriptor: (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lamba, D, Bartolucci, C.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
3I6Z
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BU of 3i6z by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
Authors:Lamba, D, Bartolucci, C.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
1C9Z
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BU of 1c9z by Molmil
D232-CGTACG
Descriptor: 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE, 5'-D(*CP*GP*TP*AP*CP*G)-3'
Authors:Williams, L.D.
Deposit date:1999-08-03
Release date:2000-04-02
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Effects of cationic charge on three-dimensional structures of intercalative complexes: structure of a bis-intercalated DNA complex solved by MAD phasing.
Curr.Med.Chem., 7, 2000
1QTI
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BU of 1qti by Molmil
Acetylcholinesterase (E.C.3.1.1.7)
Descriptor: (-)-GALANTHAMINE, ACETYLCHOLINESTERASE
Authors:Bartolucci, C, Perola, E, Pilger, C, Fels, G, Lamba, D.
Deposit date:1999-06-28
Release date:1999-12-29
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs
Proteins, 42, 2001
8QZH
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BU of 8qzh by Molmil
Crystal structure of apo-PptT from Mycobacterium tuberculosis
Descriptor: 4'-phosphopantetheinyl transferase PptT, ACETATE ION, MAGNESIUM ION
Authors:Gavalda, S, Carivenc, C, Mourey, L, Pedelacq, J.D.
Deposit date:2023-10-27
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
8QZJ
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BU of 8qzj by Molmil
Crystal structure of PptT-ADP from Mycobacterium tuberculosis
Descriptor: 4'-phosphopantetheinyl transferase PptT, ADENOSINE-3'-5'-DIPHOSPHATE, MANGANESE (II) ION
Authors:Gavalda, S, Mourey, L, Pedelacq, J.D.
Deposit date:2023-10-27
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
8QZI
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BU of 8qzi by Molmil
Crystal structure of PptT-ACP from Mycobacterium tuberculosis
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, ISOPROPYL ALCOHOL, ...
Authors:Gavalda, S, Mourey, L, Pedelacq, J.D.
Deposit date:2023-10-27
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
1BAB
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BU of 1bab by Molmil
HEMOGLOBIN THIONVILLE: AN ALPHA-CHAIN VARIANT WITH A SUBSTITUTION OF A GLUTAMATE FOR VALINE AT NA-1 AND HAVING AN ACETYLATED METHIONINE NH2 TERMINUS
Descriptor: HEMOGLOBIN THIONVILLE (DEOXY) (ALPHA CHAIN), HEMOGLOBIN THIONVILLE (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kavanaugh, J.S, Arnone, A.
Deposit date:1992-05-06
Release date:1994-01-31
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hemoglobin Thionville. An alpha-chain variant with a substitution of a glutamate for valine at NA-1 and having an acetylated methionine NH2 terminus.
J.Biol.Chem., 267, 1992

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